 Entering Gaussian System, Link 0=g16
 Input=26_junionone_conformer02_STD_B3LYPDBJ_def2SVPD.in
 Output=26_junionone_conformer02_STD_B3LYPDBJ_def2SVPD.log
 AtFile(1): /user/pierpa/basis_sets/def2SVPD.gbs
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                  0.28148150384D-01      1.0000000
            D    4   1.00
                 19.240334928            0.27039082144D-01
                  5.1178995899           0.13803684743
                  1.6554278827           0.34869086403
                  0.54016355610          0.48594185717
            D    1   1.00
                  0.16211214518           .34374449689
            F    1   1.00
                  0.3450000              1.0000000
            ****
            -Ti     0
            S    6   1.00
              42961.5121850              0.39127635355D-02
               6450.9759169              0.29969820489D-01
               1467.7210915              0.14836352707
                414.20997355             0.51347285324
                134.48715840             1.0335365483
                 46.122209796            0.77854233930
            S    3   1.00
                 89.447762543           -0.28385401259
                 10.223346060            1.6772785333
                  4.1353774271           1.2411928456
            S    3   1.00
                  6.7896181452          -0.78399994518D-02
                  1.1106730691           0.25495493019D-01
                  0.47565975578          0.16061172892D-01
            S    1   1.00
                  0.65986956934D-01      1.0000000
            S    1   1.00
                  0.25210342250D-01      1.0000000
            P    5   1.00
                522.03684782             0.19754179642D-01
                122.68649489             0.14460677619
                 38.572903611            0.54669004165
                 13.672169319            1.0531647540
                  5.0118529359           0.69111213363
            P    3   1.00
                  2.4131928282           0.75803437136
                  0.93252270050          1.3036241399
                  0.35429058390          0.53638653300
            P    1   1.00
                  0.1015610              1.0000000
            P    1   1.00
                  0.35788253200D-01      1.0000000
            D    4   1.00
                 23.465125957            0.26536380115D-01
                  6.3332593832           0.13796453963
                  2.0766489946           0.35312644228
                  0.69027361954          0.48647124166
            D    1   1.00
                  0.21088738554           .33026314258
            F    1   1.00
                  0.5620000              1.0000000
            ****
            -V     0
            S    6   1.00
              47160.3760600              0.14498688908D-02
               7081.4110871              0.11106435251D-01
               1611.1621223              0.55005423585D-01
                454.72940551             0.19060252591
                147.71321208             0.38435022957
                 50.699538950            0.29095546792
            S    3   1.00
                 98.262492669           -0.10942337856
                 11.294293099            0.64539490399
                  4.5853360105           0.47117880777
            S    3   1.00
                  7.6359689588          -0.22454949054
                  1.2539836689           0.72594852764
                  0.53271935387          0.45560582748
            S    1   1.00
                  0.72246239566D-01      1.0000000
            S    1   1.00
                  0.27358087448D-01      1.0000000
            P    5   1.00
                580.55044988             0.97315110917D-02
                136.52341127             0.71531241137D-01
                 42.983958820            0.27197688414
                 15.282798763            0.52618988893
                  5.6202495154           0.34452533498
            P    3   1.00
                  2.7485386415           0.34040396496
                  1.0618550073           0.57983996120
                  0.40235518645          0.23911643083
            P    1   1.00
                  0.1112480              1.0000000
            P    1   1.00
                  0.35000888460D-01      1.0000000
            D    4   1.00
                 27.358434017            0.26641927050D-01
                  7.4540604253           0.13995311726
                  2.4633917847           0.35751066639
                  0.82480925277          0.48488354148
            D    1   1.00
                  0.25257904742           .32332844995
            F    1   1.00
                  0.8310000              1.0000000
            ****
            -Cr     0
            S    6   1.00
              51528.0863490              0.14405823106D-02
               7737.2103487              0.11036202287D-01
               1760.3748470              0.54676651806D-01
                496.87706544             0.18965038103
                161.46520598             0.38295412850
                 55.466352268            0.29090050668
            S    3   1.00
                107.54732999            -0.10932281100
                 12.408671897            0.64472599471
                  5.0423628826           0.46262712560
            S    3   1.00
                  8.5461640165          -0.22711013286
                  1.3900441221           0.73301527591
                  0.56066602876          0.44225565433
            S    1   1.00
                  0.71483705972D-01      1.0000000
            S    1   1.00
                  0.28250687604D-01      1.0000000
            P    5   1.00
                640.48536096             0.96126715203D-02
                150.69711194             0.70889834655D-01
                 47.503755296            0.27065258990
                 16.934120165            0.52437343414
                  6.2409680590           0.34107994714
            P    3   1.00
                  3.0885463206           0.33973986903
                  1.1791047769           0.57272062927
                  0.43369774432          0.24582728206
            P    1   1.00
                  0.1206750              1.0000000
            P    1   1.00
                  0.33978554488D-01      1.0000000
            D    4   1.00
                 27.559479426            0.30612488044D-01
                  7.4687020327           0.15593270944
                  2.4345903574           0.36984421276
                  0.78244754808          0.47071118077
            D    1   1.00
                  0.21995774311           .33941649889
            F    1   1.00
                  1.1470000              1.0000000
            ****
            -Mn     0
            S    6   1.00
              56137.0090370              0.14321304702D-02
               8429.2063943              0.10972509162D-01
               1917.8277233              0.54382468712D-01
                541.36230198             0.18884335129
                176.00069142             0.38198025054
                 60.500477010            0.29156772596
            S    3   1.00
                117.17282882            -0.10933661328
                 13.596973368            0.64305039431
                  5.5483996341           0.45848970584
            S    3   1.00
                  9.4662853530          -0.22538977259
                  1.5595006070           0.72307758657
                  0.65230205868          0.45300721536
            S    1   1.00
                  0.84003734475D-01      1.0000000
            S    1   1.00
                  0.31256098581D-01      1.0000000
            P    5   1.00
                706.00497535             0.95055518167D-02
                166.19728820             0.70356271142D-01
                 52.452061906            0.27005556982
                 18.746932862            0.52574344602
                  6.9282991622           0.34254033223
            P    3   1.00
                  3.4772204938           0.33994073736
                  1.3406906449           0.57203836254
                  0.50498803038          0.23847605831
            P    1   1.00
                  0.1276500              1.0000000
            P    1   1.00
                  0.36336999053D-01      1.0000000
            D    4   1.00
                 35.423264935            0.26985304111D-01
                  9.7814221451           0.14383458648
                  3.2673488767           0.36418958377
                  1.1026472189           0.48152670661
            D    1   1.00
                  0.33743205934           .31458754360
            F    1   1.00
                  1.3260000              1.0000000
            ****
            -Fe     0
            S    6   1.00
              60923.6406430              0.14302254466D-02
               9147.8893982              0.10958790038D-01
               2081.3505927              0.54332554248D-01
                587.55977067             0.18884995009
                191.09043990             0.38253069946
                 65.732730112            0.29308335984
            S    3   1.00
                127.25891928            -0.10964564925
                 14.830913010            0.64387631332
                  6.0653307408           0.45472347323
            S    3   1.00
                 10.449943710           -0.22539639952
                  1.7245228003           0.72164398156
                  0.71772177325          0.44985492922
            S    1   1.00
                  0.91449828308D-01      1.0000000
            S    1   1.00
                  0.33706691021D-01      1.0000000
            P    5   1.00
                773.43750995             0.94325735144D-02
                182.15149714             0.70029620575D-01
                 57.547272758            0.26993651996
                 20.614988935            0.52700011047
                  7.6348557890           0.34284148028
            P    3   1.00
                  3.8719327990           0.33974402988
                  1.4924724132           0.56842594005
                  0.56061284958          0.23649365839
            P    1   1.00
                  0.1349150              1.0000000
            P    1   1.00
                  0.36933633962D-01      1.0000000
            D    4   1.00
                 38.968133419            0.27879664382D-01
                 10.800067078            0.14858319982
                  3.6136457999           0.36905479496
                  1.2129967888           0.47745100883
            D    1   1.00
                  0.36524393170           .31418142304
            F    1   1.00
                  1.5980000              1.0000000
            ****
            -Co     0
            S    6   1.00
              65902.2082570              0.14284614936D-02
               9895.3896027              0.10946072783D-01
               2251.4305789              0.54285953890D-01
                635.61097084             0.18885179079
                206.78820681             0.38301634994
                 71.179242971            0.29443551266
            S    3   1.00
                137.77268040            -0.10990221736
                 16.118079243            0.64455537395
                  6.6030327710           0.45116787924
            S    3   1.00
                 11.479915788           -0.22593846910
                  1.8956426324           0.72231409008
                  0.78466232067          0.44903812296
            S    1   1.00
                  0.98425774432D-01      1.0000000
            S    1   1.00
                  0.35945741932D-01      1.0000000
            P    5   1.00
                843.64358575             0.93866097254D-02
                198.76386994             0.69880208716D-01
                 62.854963098            0.27037070345
                 22.562842280            0.52904786880
                  8.3713209127           0.34357029579
            P    3   1.00
                  4.2858719800           0.34027999036
                  1.6508041817           0.56693392384
                  0.61834231096          0.23617979783
            P    1   1.00
                  0.1413080              1.0000000
            P    1   1.00
                  0.37744197011D-01      1.0000000
            D    4   1.00
                 42.927867612            0.28487788365D-01
                 11.942533053            0.15206951283
                  4.0046495664           0.37310913999
                  1.3413193804           0.47549837676
            D    1   1.00
                  0.40015009743           .31346831424
            F    1   1.00
                  1.9030000              1.0000000
            ****
            -Ni     0
            S    6   1.00
              71074.8032110              0.14260386729D-02
              10672.0209410              0.10928236994D-01
               2428.1389007              0.54212626938D-01
                685.53595148             0.18874768902
                223.10072863             0.38324616985
                 76.842014042            0.29550637144
            S    3   1.00
                148.71122016            -0.11014443059
                 17.459154987            0.64521426988
                  7.1625280665           0.44797838103
            S    3   1.00
                 12.556137125           -0.22645403224
                  2.0735740488           0.72320959286
                  0.85382640602          0.44868026476
            S    1   1.00
                  0.10536766271          1.0000000
            S    1   1.00
                  0.38134087688D-01      1.0000000
            P    5   1.00
                916.73608662             0.93439635610D-02
                216.06139913             0.69737374902D-01
                 68.383914817            0.27073495012
                 24.593843952            0.53078301549
                  9.1392960204           0.34410229438
            P    3   1.00
                  4.7193371746           0.34076082016
                  1.8161849234           0.56580169611
                  0.67840750720          0.23616717361
            P    1   1.00
                  0.1465880              1.0000000
            P    1   1.00
                  0.38905548722D-01      1.0000000
            D    4   1.00
                 47.093832108            0.28982316948D-01
                 13.146463975            0.15494995950
                  4.4170548925           0.37633115111
                  1.4771565078           0.47365096014
            D    1   1.00
                  0.43735921792           .31247837833
            F    1   1.00
                  2.1740000              1.0000000
            ****
            -Cu     0
            S    6   1.00
              76381.3480560              0.14336079896D-02
              11468.7774990              0.10986749865D-01
               2609.4246495              0.54513652465D-01
                736.75033098             0.18990128258
                239.82419958             0.38581959211
                 82.656829252            0.29790607498
            S    3   1.00
                160.13544196            -0.11146778567
                 18.834177695            0.65349301031
                  7.7176595741           0.44770534421
            S    3   1.00
                 13.710846717           -0.22870911122
                  2.2349895670           0.73464423031
                  0.87818360069          0.43273070874
            S    1   1.00
                  0.87187458064D-01      1.0000000
            S    1   1.00
                  0.32969114665D-01      1.0000000
            P    5   1.00
                991.24075782             0.93878498798D-02
                233.69376116             0.70208282458D-01
                 74.020930927            0.27323522220
                 26.664967447            0.53580792728
                  9.9192087478           0.34575794906
            P    3   1.00
                  5.1519553926           0.34229108083
                  1.9638205828           0.56456592484
                  0.71560097037          0.24078584318
            P    1   1.00
                  0.1550650              1.0000000
            P    1   1.00
                  0.38734214974D-01      1.0000000
            D    4   1.00
                 47.335049590            0.32375547758D-01
                 13.161666077            0.16810218684
                  4.3693777244           0.38477707982
                  1.4132925109           0.46147880178
            D    1   1.00
                  0.38878001452           .32388873258
            F    1   1.00
                  2.2330000              1.0000000
            ****
            -Zn     0
            S    6   1.00
              82000.7116290              0.14210764000D-02
              12312.4717770              0.10891499487D-01
               2801.3944193              0.54057188059D-01
                790.99424302             0.18847463904
                257.56551079             0.38346549346
                 88.814933400            0.29723794197
            S    3   1.00
                171.86353716            -0.11051849523
                 20.302534785            0.64607716984
                  8.3464123068           0.44220117322
            S    3   1.00
                 14.847536940           -0.22705309278
                  2.4495029507           0.72433217935
                  0.99845821824          0.44836495592
            S    1   1.00
                  0.11891307937          1.0000000
            S    1   1.00
                  0.42297428760D-01      1.0000000
            P    5   1.00
               1071.5185372              0.92767797235D-02
                252.69712152             0.69541149434D-01
                 80.100829126            0.27156772564
                 28.903393172            0.53401355573
                 10.768899879            0.34501323446
            P    3   1.00
                  5.6446212530           0.34129600164
                  2.1678291347           0.56390521973
                  0.80540898341          0.23676109735
            P    1   1.00
                  0.1624550              1.0000000
            P    1   1.00
                  0.42022716037D-01      1.0000000
            D    4   1.00
                 56.088939191            0.29588869140D-01
                 15.751908917            0.158725714045
                  5.3115812367           0.379762291591
                  1.7737904917           0.468989591719
            D    1   1.00
                  0.51975583665           .309071490776
            F    1   1.00
                  2.6140000              1.0000000
            ****
            -Ga     0
            S    6   1.00
              87842.1262960              0.14271588798D-02
              13189.4964020              0.10938894097D-01
               3000.9482141              0.54308200127D-01
                847.38425966             0.18951055983
                276.00980642             0.38615185918
                 95.216672071            0.30051082719
            S    3   1.00
                184.00703968            -0.11124461963
                 21.827051433            0.64831322918
                  9.0026963761           0.44358383594
            S    3   1.00
                 16.033176938           -0.23014299555
                  2.6707724878           0.72946861516
                  1.1252834170           0.46214976951
            S    1   1.00
                  0.15967608829          1.0000000
            S    1   1.00
                  0.57643044753D-01      1.0000000
            S    1   1.00
                  0.31819812628D-01      1.0000000
            P    5   1.00
               1167.2665844              0.90974021307D-02
                275.38062789             0.68456273343D-01
                 87.375073070            0.26922293888
                 31.597254670            0.53507897882
                 11.824122798            0.35279062760
            P    3   1.00
                  6.2881845133           0.33938244530
                  2.5199853240           0.56871947608
                  1.0169726306           0.27717694939
            P    1   1.00
                  0.24748373604          1.0000000
            P    1   1.00
                  0.66685294163D-01      1.0000000
            D    4   1.00
                 65.354237674            0.27370146382D-01
                 18.504656747            0.15099463976
                  6.3179620632           0.37485328545
                  2.1641389426           0.47510606851
            D    1   1.00
                  0.66693092754           .29843287401
            D    1   1.00
                  0.2070000              1.0000000
            D    1   1.00
                  0.49799390975D-01      1.0000000
            ****
            -Ge     0
            S    6   1.00
              93889.8366420              0.14233976060D-02
              14097.4975280              0.10910795654D-01
               3207.5477309              0.54183705943D-01
                905.76727269             0.18922820349
                295.11014693             0.38612847001
                101.84713141             0.30164050736
            S    3   1.00
                196.56719662            -0.11118770940
                 23.405292522            0.64616007369
                  9.6839116702           0.44188904568
            S    3   1.00
                 17.269736544           -0.23027421375
                  2.8964622160           0.73017169398
                  1.2553621412           0.46197222255
            S    1   1.00
                  0.20213081492          1.0000000
            S    1   1.00
                  0.73867910982D-01      1.0000000
            S    1   1.00
                  0.43410224935D-01      1.0000000
            P    5   1.00
               1259.2085995              0.90115464252D-02
                297.15626382             0.67986841689D-01
                 94.353387522            0.26853856488
                 34.176329677            0.53659649219
                 12.816139615            0.35633514961
            P    3   1.00
                  6.8471029784           0.33900693119
                  2.7717363939           0.56809365264
                  1.1458418175           0.27246539884
            P    1   1.00
                  0.30679631536          1.0000000
            P    1   1.00
                  0.89283644115D-01      1.0000000
            D    4   1.00
                 74.782168177            0.25755860205D-01
                 21.310849759            0.14536816132
                  7.3464792363           0.37134209859
                  2.5656271395           0.48002998436
            D    1   1.00
                  0.81981773070           .28978790744
            D    1   1.00
                  0.2460000              1.0000000
            D    1   1.00
                  0.66328328796D-01      1.0000000
            ****
            -As     0
            S    6   1.00
             100146.5255400              0.14258349617D-02
              15036.8617110              0.10930176963D-01
               3421.2902833              0.54294174610D-01
                966.16965717             0.18976078153
                314.87394026             0.38775195453
                108.70823790             0.30402812040
            S    3   1.00
                209.54238950            -0.11162094204
                 25.038221139            0.64697607762
                 10.390964343            0.44223608673
            S    3   1.00
                 18.555090093           -0.22994190569
                  3.1281217449           0.73319107613
                  1.3884885073           0.45533653943
            S    1   1.00
                  0.24714362141          1.0000000
            S    1   1.00
                  0.91429428670D-01      1.0000000
            S    1   1.00
                  0.55939685220D-01      1.0000000
            P    5   1.00
               1355.6443507              0.89182507898D-02
                319.99929270             0.67454750717D-01
                101.67734092             0.26759772110
                 36.886323845            0.53776844520
                 13.861115909            0.35992570244
            P    3   1.00
                  7.4260666912           0.34036849637
                  3.0316247187           0.57030149334
                  1.2783078340           0.26606170238
            P    1   1.00
                  0.37568503356          1.0000000
            P    1   1.00
                  0.11394805454          1.0000000
            D    4   1.00
                 84.445514539            0.24518402724D-01
                 24.190416102            0.14107454677
                  8.4045015119           0.36875228915
                  2.9808970748           0.48409561362
            D    1   1.00
                  0.97909243359           .28250268781
            D    1   1.00
                  0.2930000              1.0000000
            D    1   1.00
                  0.84097628016D-01      1.0000000
            ****
            -Se     0
            S    6   1.00
             106612.2002700              0.14274889113D-02
              16007.6047010              0.10943525114D-01
               3642.1699707              0.54374171596D-01
               1028.5912993              0.19018092947
                335.30298888             0.38913021696
                115.80129154             0.30620207088
            S    3   1.00
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            ****
            -Sb     0
            S    6   1.00
                372.76139166             0.15878057239D-02
                 22.689478596           -0.15027605583
                 18.391547037            0.35915813039
                  7.6406271414          -0.74805091065
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            S    2   1.00
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            S    1   1.00
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                 10.052739237           -0.41511149340
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            P    1   1.00
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            P    1   1.00
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                 18.504059617           -0.54952972010D-02
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                  1.7142196009           0.51273377761
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            D    1   1.00
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            ****
            -Te     0
            S    6   1.00
                396.47954659             0.26307731203D-02
                 21.919773309           -0.13203517066
                 18.061271390            0.36203197834
                  8.1403463241          -0.75591120276
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            S    2   1.00
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            S    1   1.00
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            S    1   1.00
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                 10.433943171           -0.41205302672
                  1.3623024763           0.78760578076
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                 18.884095378           -0.35221408938D-02
                  4.2527304630           0.28254216065
                  1.8757557092           0.52039372916
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            D    1   1.00
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            D    1   1.00
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            ****
            -I     0
            S    6   1.00
                445.90489176             0.20037290389D-02
                 23.336842412           -0.14989397324
                 19.583446104            0.36436474913
                  8.5112089186          -0.75538138199
                  2.1996161861           0.82816359356
                  1.0668970454           0.42161048110
            S    2   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
                 20.499027254            0.77159335656D-01
                 10.558754576           -0.38370372780
                  1.5015895485           0.83554174719
                  0.64597173095          0.16787259488
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                 51.235354920            0.40345130346D-02
                 15.616239482           -0.50768108881D-02
                  4.5266002139           0.29151065356
                  2.0529808766           0.51145783605
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            D    1   1.00
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            D    1   1.00
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            ****
            -Xe     0
            S    5   1.00
               6420.2481656              0.25092173886D-03
                983.54530664             0.16251948178D-02
                219.43881364             0.46037106451D-02
                 23.012587807           -0.14698707182
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            S    2   1.00
                 11.752550163            0.66038420156
                  6.2390917199           0.38470524721
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
                 13.960683826           -0.50950157807D-01
                  4.0928947097           0.36669211800
                  2.2546815460           0.72619456861
                  1.1546596184           0.35555871740
            P    3   1.00
                193.81432545             0.95394802497D-03
                 21.725228086            0.57393353332D-01
                  9.8891605641          -0.27974266640
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    6   1.00
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                 38.727062692            0.60897654151D-02
                 15.377328089           -0.92782985596D-02
                  5.2602537686           0.22890785589
                  2.6590627424           0.44434407051
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            D    1   1.00
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            ****
            -Cs     0
            S    3   1.00
                  5.8778113443           0.12859994983
                  4.3631538286          -0.34632569725
                  1.8048475155           0.69930637051
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  1.9656663360          -0.25019961976
                  0.47689195212          0.55660850066
                  0.21529749588          0.58218553406
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    1   1.00
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            D    1   1.00
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            ****
            -Ba     0
            S    3   1.00
                  2.3961900000          -5.9554766710
                  2.2433050000           6.6805648241
                  0.71740200000         -0.57055347037
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  2.5207180000          -1.0707548832
                  0.67578180854          0.34940781448
                  0.31985844531          0.65041110673
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.1038910              0.4732600
            D    1   1.00
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            F    4   1.00
                 10.00                   0.073
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                  1.00                   0.350
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            ****
            -La     0
            S    2   1.00
                  5.0873990000          -0.44173707857
                  4.2709780000           0.85812489720
            S    1   1.00
                  2.1823803999           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  2.3820950000           0.51718364643673D+00
                  0.67246658081         -0.44823115995325D+00
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.89049882672          0.25137236211233D+00
                  0.32947291040          0.44604068239531D+00
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            D    1   1.00
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            ****
            -Hf     0
            S    2   1.00
                 14.592485000           -0.80196298812
                 11.547491000            1.5261602829
            S    1   1.00
                  4.9112973928           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  5.9599790000          -0.83713508620273
                  1.0921117054           0.50570506286223
                  0.49702823217          0.51965388690539
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  1.3077987772           0.18409232564002
                  0.53272310298          0.41484423515705
                  0.20564954488          0.44224303496859
            D    1   1.00
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            F    1   1.00
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            ****
            -Ta     0
            S    2   1.00
                 14.400000000            0.99343296745
                 12.000000000           -1.6510077975
            S    1   1.00
                  5.0701477302           1.0000000
            S    1   1.00
                  0.86033356487          1.0000000
            S    1   1.00
                  0.37158938894          1.0000000
            S    1   1.00
                  0.10745336254          1.0000000
            S    1   1.00
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                  5.6984100000          -0.46968874449
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                  0.54478533555          0.52298161137
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.61042908544          0.42959071631
                  0.24216276510          0.43497228231503D+00
            D    1   1.00
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            ****
            -W     0
            S    2   1.00
                 15.000000000           -0.53315505392
                 12.000000000            1.0014141748
            S    1   1.00
                  5.2610967725           1.0000000
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                  0.11585976646          1.0000000
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                  6.0848760000          -0.66720686321
                  1.2523777812           0.52090351989
                  0.58569208922          0.51885687511
            P    1   1.00
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            D    4   1.00
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                  0.69187452392          0.44121676843
                  0.27865835325          0.43158409241461D+00
            D    1   1.00
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            ****
            -Re     0
            S    2   1.00
                 14.781862000           -1.1395193885
                 12.324075000            1.9371421121
            S    1   1.00
                  5.5098597284           1.0000000
            S    1   1.00
                  0.98874104687          1.0000000
            S    1   1.00
                  0.42833312030          1.0000000
            S    1   1.00
                  0.12296804533          1.0000000
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            P    4   1.00
                  7.4040050000           0.54510937865
                  6.3502060000          -0.76096056536
                  1.3311713455           0.53252276765
                  0.62659600547          0.51483045040
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.78702048429          0.45160766937
                  0.32069843172          0.43261236265745D+00
            D    1   1.00
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                  0.4898900              1.0000000
            ****
            -Os     0
            S    2   1.00
                 15.286736000           -1.0647114485
                 12.700638000            1.8433193269
            S    1   1.00
                  5.7094832504           1.0000000
            S    1   1.00
                  1.0689228744           1.0000000
            S    1   1.00
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            S    1   1.00
                  0.13253456992          1.0000000
            S    1   1.00
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            P    4   1.00
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                  6.3036410000          -0.56379438345
                  1.4351579676           0.52360040577
                  0.68442749722          0.52445339821
            P    1   1.00
                  0.28347394974          1.0000000
            P    1   1.00
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            P    1   1.00
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            D    4   1.00
                  3.5808150000          -0.42773932262
                  3.1961650000           0.44501403992
                  1.0550226354           0.43689459722
                  0.41588406618          0.48220605798770D+00
            D    1   1.00
                  0.14653507868          1.0000000
            F    1   1.00
                  0.5506500              1.0000000
            ****
            -Ir     0
            S    2   1.00
                 15.293709000           -1.6731899791
                 13.573682000            2.3934378976
            S    1   1.00
                  5.8213436542           1.0000000
            S    1   1.00
                  1.1520364268           1.0000000
            S    1   1.00
                  0.51104895338          1.0000000
            S    1   1.00
                  0.14084043578          1.0000000
            S    1   1.00
                  0.49828673085D-01      1.0000000
            P    4   1.00
                  8.6697960000           0.21469187346391
                  6.2456140000          -0.44863071815131
                  1.5657036153           0.50653393256771
                  0.75577412863          0.54052273352337
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.3617430000           0.56835425804006
                  1.1177053710           0.44304381513032
                  0.44322534858          0.47078394930144
            D    1   1.00
                  0.15641305125          1.0000000
            F    1   1.00
                  0.6100800              1.0000000
            ****
            -Pt     0
            S    2   1.00
                 16.559563000           -0.53808800717
                 13.892440000            0.91402161377
            S    1   1.00
                  5.8531044732           1.0000000
            S    1   1.00
                  1.2498640609           1.0000000
            S    1   1.00
                  0.55606439459          1.0000000
            S    1   1.00
                  0.13793093812          1.0000000
            S    1   1.00
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            P    4   1.00
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                  7.2000000000          -0.95441807252
                  1.5588402917           0.57140490320
                  0.73230402180          0.49508234268
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.93629991261          0.46533857641
                  0.37160028160          0.41129165525
            D    1   1.00
                  0.13155928617          1.0000000
            F    1   1.00
                  0.6681300              1.0000000
            ****
            -Au     0
            S    2   1.00
                 20.115299000           -0.15910719389
                 12.193477000            0.79105526778
            S    1   1.00
                  6.0735294368           1.0000000
            S    1   1.00
                  1.3174451569           1.0000000
            S    1   1.00
                  0.58596768244          1.0000000
            S    1   1.00
                  0.13875427354          1.0000000
            S    1   1.00
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            P    4   1.00
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                  7.3353260000          -0.72681584494
                  1.6575296365           0.57315511417
                  0.78159310216          0.49579068859
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.5682570000           0.40197233762
                  1.2345757130           0.46001988624
                  0.48190232338          0.46152130957882D+00
            D    1   1.00
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            F    1   1.00
                  0.7248200              1.0000000
            ****
            -Hg     0
            S    2   1.00
                 26.842049000           -0.26845096483D-01
                 10.320909000            0.81771278143
            S    1   1.00
                  6.3656242291           1.0000000
            S    1   1.00
                  1.3898932095           1.0000000
            S    1   1.00
                  0.63706742699          1.0000000
            S    1   1.00
                  0.16047725098          1.0000000
            S    1   1.00
                  0.56410423453D-01      1.0000000
            P    4   1.00
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                  7.1690950000          -0.44026342153
                  1.7559567931           0.58406314464
                  0.83145670425          0.49359746203
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.4800000000           0.37748470203231
                  1.2535869926           0.48342275878173
                  0.50841366863          0.43493523158359
            D    1   1.00
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            F    1   1.00
                  0.7956900              1.0000000
            ****
            -Tl     0
            S    6   1.00
                 45.356924655            0.50938157397D-02
                 20.278843336           -0.14805704314
                 14.420612394            0.36768453564
                  6.2161909754          -0.66820394623
                  1.5002511178           0.96232806743
                  0.76330879305          0.33175999361
            S    2   1.00
                  7.8193195283          -0.18828631537D-01
                  1.3176904042           0.32093431467
            S    1   1.00
                  0.17643545481          1.0000000
            S    1   1.00
                  0.65296835238D-01      1.0000000
            S    1   1.00
                  0.24592841139D-01      1.0000000
            P    4   1.00
                  9.0323058024           0.22738839085
                  7.5356419671          -0.35117975889
                  1.0521421998           0.25690085604
                  0.50303932656          0.84549942764D-01
            P    1   1.00
                  2.0067660913           1.0000000
            P    1   1.00
                  0.16675605056          1.0000000
            P    1   1.00
                  0.48596401464D-01      1.0000000
            D    5   1.00
                  9.4421940760           0.58250776986D-01
                  7.4410003381          -0.11789199301
                  1.9831617772           0.34232057636
                  0.91671748567          0.47557282350
                  0.39647207885          0.30528029435
            D    1   1.00
                  0.15500000000          1.0000000
            D    1   1.00
                  0.39237960293D-01      1.0000000
            ****
            -Pb     0
            S    6   1.00
                 55.727520333            0.29681153058D-02
                 20.302912827           -0.14352634362
                 14.558628750            0.37554188507
                  6.5370530973          -0.67253099800
                  1.5933900686           0.95887533909
                  0.83051419711          0.32593632538
            S    2   1.00
                  8.0719473648          -0.20412061217D-01
                  1.4165737490           0.32865829049
            S    1   1.00
                  0.20418933370          1.0000000
            S    1   1.00
                  0.77159007761D-01      1.0000000
            S    1   1.00
                  0.33059793391D-01      1.0000000
            P    4   1.00
                  9.5531412199           0.20542943990
                  7.5327685129          -0.36407590058
                  1.1185539567           0.32217481686
                  0.53739855255          0.96677743015D-01
            P    1   1.00
                  2.1359869828           1.0000000
            P    1   1.00
                  0.20027494801          1.0000000
            P    1   1.00
                  0.63408011513D-01      1.0000000
            D    5   1.00
                 13.494505735            0.11571042371D-01
                  7.0609770411          -0.66746645076D-01
                  2.1581835375           0.33978760942
                  1.0148541418           0.48523039273
                  0.44632672920          0.29682924018
            D    1   1.00
                  0.17500000000          1.0000000
            D    1   1.00
                  0.50585085346D-01      1.0000000
            ****
            -Bi     0
            S    6   1.00
                175.19632102             0.80278879028D-03
                 19.820147783           -0.14624461250
                 14.960110102            0.37435719885
                  6.7065785571          -0.68476017748
                  1.7391967524           0.90967322081
                  0.94504730591          0.38695797807
            S    2   1.00
                  8.4636832909          -0.20037183144D-01
                  1.5317838545           0.31054408682
            S    1   1.00
                  0.23405391503          1.0000000
            S    1   1.00
                  0.90268814613D-01      1.0000000
            S    1   1.00
                  0.41577775054D-01      1.0000000
            P    4   1.00
                 10.672046293            0.14391258793
                  7.1992185915          -0.37994608603
                  1.5359697528           0.53268032065
                  0.72201275727          0.23037698678
            P    1   1.00
                  2.8508661858           1.0000000
            P    1   1.00
                  0.23769418731          1.0000000
            P    1   1.00
                  0.78768140453D-01      1.0000000
            D    5   1.00
                 15.834273510            0.85062993231D-02
                  7.0956896087          -0.65954380016D-01
                  2.3363137007           0.33707163406
                  1.1208861366           0.49128719933
                  0.50309487376          0.29095930644
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.62256480090D-01      1.0000000
            ****
            -Po     0
            S    6   1.00
                278.13783916             0.91690497839D-03
                 19.659291105           -0.14713009283
                 15.016229647            0.38790413631
                  7.1149978720          -0.67059966298
                  1.7879214122           0.91212928327
                  0.94021655206          0.29153755200
            S    2   1.00
                  8.7584161749          -0.21561417525D-01
                  1.6503945866           0.31638990001
            S    1   1.00
                  0.26329582133          1.0000000
            S    1   1.00
                  0.10190654304          1.0000000
            S    1   1.00
                  0.36854928339D-01      1.0000000
            P    4   1.00
                 10.445945973            0.23631841405
                  8.0293101888          -0.45017818996
                  1.3588798023           0.44160334658
                  0.66829182929          0.14575285544
            P    1   1.00
                  2.4460635387           1.0000000
            P    1   1.00
                  0.27242942777          1.0000000
            P    1   1.00
                  0.88796031338D-01      1.0000000
            P    1   1.00
                  0.24278917089D-01      1.0000000
            D    5   1.00
                 18.292670150            0.72030963652D-02
                  7.1695578539          -0.66160544754D-01
                  2.5029225180           0.34363449378
                  1.2115945443           0.50529101033
                  0.54713334240          0.28301155453
            D    1   1.00
                  0.21500000000          1.0000000
            D    1   1.00
                  0.60680939679D-01      1.0000000
            ****
            -At     0
            S    6   1.00
                303.23376176             0.63504969788D-03
                 20.289449240           -0.13823165350
                 15.383783126            0.38333193283
                  7.4702184232          -0.66837560338
                  1.8731608346           0.91545877992
                  0.97426847543          0.25559567998
            S    2   1.00
                  8.9610112498          -0.23092977605D-01
                  1.7804284294           0.31690635939
            S    1   1.00
                  0.29269461143          1.0000000
            S    1   1.00
                  0.11395353119          1.0000000
            S    1   1.00
                  0.42558321816D-01      1.0000000
            P    4   1.00
                 10.722023134            0.26194870008
                  8.4823338656          -0.46607228264
                  1.3474291294           0.42119853309
                  0.62824011467          0.10643224457
            P    1   1.00
                  2.4814896839           1.0000000
            P    1   1.00
                  0.31036518470          1.0000000
            P    1   1.00
                  0.10144862043          1.0000000
            P    1   1.00
                  0.26996558228D-01      1.0000000
            D    5   1.00
                 20.799819604            0.65227965381D-02
                  7.1664616770          -0.67780885217D-01
                  2.6934397048           0.33954991335
                  1.3175112423           0.50899559178
                  0.59997066293          0.27526771759
            D    1   1.00
                  0.23500000000          1.0000000
            D    1   1.00
                  0.67929272623D-01      1.0000000
            ****
            -Rn     0
            S    5   1.00
               5187.7442468              0.16097034848D-03
                768.14491207             0.10508214789D-02
                159.35182065             0.27375438093D-02
                 21.863432724           -0.55045904905
                 18.388689978            0.78321373922
            S    2   1.00
                 24.816226448           -0.82636797204D-01
                  7.2923301677           1.0926256000
            S    1   1.00
                  2.0850437166           1.0000000
            S    1   1.00
                  1.0915245945           1.0000000
            S    1   1.00
                  0.34915708428          1.0000000
            S    1   1.00
                  0.13648422952          1.0000000
            S    1   1.00
                  0.46837581728D-01      1.0000000
            P    4   1.00
                  9.0845000304          -0.23093917426
                  6.2631489717           0.39747614192
                  2.2545193734           0.83026693838
                  1.1180666918           0.51467013112
            P    3   1.00
                194.68918723             0.26265814046D-03
                 11.210013525            0.19952302621
                  7.5298316489          -0.45994479561
            P    1   1.00
                  0.47444492594          1.0000000
            P    1   1.00
                  0.20172354616          1.0000000
            P    1   1.00
                  0.79503144392D-01      1.0000000
            P    1   1.00
                  0.22264519316D-01      1.0000000
            D    6   1.00
                 75.302723665            0.73590238429D-03
                 17.965913830            0.89490827389D-02
                  7.3741298033          -0.76641663693D-01
                  3.2296258578           0.22975404602
                  1.7937840508           0.43991495311
                  0.94633319732          0.35259395198
            D    1   1.00
                  0.46860482223          1.0000000
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.68815941916D-01      1.0000000
            F    1   1.00
                  2.1000000              1.0000000
            F    1   1.00
                  0.4180600              1.0000000
            ****
            
            -RB     0
            RB-ECP     3     28
            f potential
              1
            2      3.8431140            -12.3169000
            s-f potential
              3
            2      5.0365510             89.5001980
            2      1.9708490              0.4937610
            2      3.8431140             12.3169000
            p-f potential
              3
            2      4.2583410             58.5689740
            2      1.4707090              0.4317910
            2      3.8431140             12.3169000
            d-f potential
              3
            2      3.0231270             26.2248980
            2      0.6503830              0.9628390
            2      3.8431140             12.3169000
            -SR     0
            SR-ECP     3     28
            f potential
              1
            2      4.6339750            -15.8059920
            s-f potential
              3
            2      7.4000740            135.4794300
            2      3.6063790             17.5344630
            2      4.6339750             15.8059920
            p-f potential
              3
            2      6.4848680             88.3597090
            2      3.2880530             15.3943720
            2      4.6339750             15.8059920
            d-f potential
              3
            2      4.6228410             29.8889870
            2      2.2469040              6.6594140
            2      4.6339750             15.8059920
            -Y     0
            Y-ECP     3     28
            f potential
              2
            2      6.5842120            -19.12219811
            2      3.2921060             -2.43637543
            s-f potential
              4
            2      7.4880494            135.15384412
            2      3.7440247             15.55244130
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            p-f potential
              4
            2      6.4453772             87.78499167
            2      3.2226886             11.56406599
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            d-f potential
              4
            2      4.6584472             29.70100072
            2      2.3292236              5.53996847
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            -ZR     0
            ZR-ECP     3     28
            f potential
              2
            2      7.5400000            -21.09377605
            2      3.7700000             -3.08069427
            s-f potential
              4
            2      8.2000000            150.26759106
            2      4.0897278             18.97621650
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            p-f potential
              4
            2      7.1100000             99.62212372
            2      3.5967980             14.16873329
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            d-f potential
              4
            2      5.3500000             35.04512355
            2      2.4918215              6.11125948
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            -NB     0
            NB-ECP     3     28
            f potential
              2
            2      8.4900000            -22.92954996
            2      4.2500000             -3.66630986
            s-f potential
              4
            2      8.9000000            165.17914349
            2      4.4300000             21.99297437
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            p-f potential
              4
            2      7.7700000            111.79441445
            2      3.9600000             16.63348326
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            d-f potential
              4
            2      6.0500000             38.11224880
            2      2.8400000              8.03916727
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            -MO     0
            MO-ECP     3     28
            f potential
              2
            2      9.4500000            -24.80517707
            2      4.7200000             -4.15378155
            s-f potential
              4
            2      9.7145938            180.10310850
            2      4.6805004             24.99722791
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            p-f potential
              4
            2      8.1421366            123.77275231
            2      4.6259863             19.53022800
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            d-f potential
              4
            2      6.6184148             48.37502229
            2      3.2487516              8.89205274
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            -TC     0
            TC-ECP     3     28
            f potential
              2
            2     10.4000000            -26.56244747
            2      5.2000000             -4.58568054
            s-f potential
              4
            2     10.4223462            195.15916591
            2      5.0365160             28.09260333
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            p-f potential
              4
            2      8.9504494            135.28456622
            2      4.8544394             21.80650430
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            d-f potential
              4
            2      6.9456968             54.32972942
            2      3.9705849             11.15506795
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            -RU     0
            RU-ECP     3     28
            f potential
              2
            2     11.3600000            -28.34061627
            2      5.6800000             -4.94462923
            s-f potential
              4
            2     11.1052693            209.82297122
            2      5.4147454             30.65472642
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            p-f potential
              4
            2      9.7712707            146.33618228
            2      5.0739908             24.12787723
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            d-f potential
              4
            2      7.6714231             67.51589667
            2      4.1365647              9.87010415
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            -RH     0
            RH-ECP     3     28
            f potential
              2
            2     12.3100000            -30.09345572
            2      6.1600000             -5.21848192
            s-f potential
              4
            2     11.7200000            225.34775353
            2      5.8200000             32.82318898
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            p-f potential
              4
            2     10.4200000            158.70941159
            2      5.4500000             26.44410049
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            d-f potential
              4
            2      8.8200000             62.75862572
            2      3.8700000             10.97871947
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            -PD     0
            PD-ECP     3     28
            f potential
              2
            2     13.2700000            -31.92955431
            2      6.6300000             -5.39821694
            s-f potential
              4
            2     12.4300000            240.22904033
            2      6.1707594             35.17194347
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            p-f potential
              4
            2     11.0800000            170.41727605
            2      5.8295541             28.47213287
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            d-f potential
              4
            2      9.5100000             69.01384488
            2      4.1397811             11.75086158
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            -AG     0
            AG-ECP     3     28
            f potential
              2
            2     14.2200000            -33.68992012
            2      7.1100000             -5.53112021
            s-f potential
              4
            2     13.1300000            255.13936452
            2      6.5100000             36.86612154
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            p-f potential
              4
            2     11.7400000            182.18186871
            2      6.2000000             30.35775148
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            d-f potential
              4
            2     10.2100000             73.71926087
            2      4.3800000             12.50211712
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            -CD     0
            CD-ECP     3     28
            f potential
              2
            2     15.1847957            -35.47662555
            2      7.5923978             -5.61767685
            s-f potential
              4
            2     13.8358689            270.00948324
            2      6.8572704             38.76730798
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            p-f potential
              4
            2     12.4049710            193.82962939
            2      6.5677995             31.89652523
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            d-f potential
              4
            2     10.8969253             79.19364700
            2      4.6411649             13.23082674
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            -IN     0
            IN-ECP     3     28
            f potential
              2
            2     12.53905600           -13.72807800
            2     12.55256100           -18.20686600
            s-f potential
              4
            2     15.39282200           281.12235000
            2      8.05586400            61.90147000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            p-f potential
              6
            2     13.92867200            67.46215400
            2     13.34723400           134.94925000
            2      7.61413200            14.74614000
            2      7.31836500            29.63926200
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            d-f potential
              6
            2     14.03471500            35.49325400
            2     14.51161600            53.17877300
            2      5.55055000             9.17728100
            2      5.05941500            12.39241000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            -SN     0
            SN-ECP     3     28
            f potential
              2
            2     12.28234800           -12.57633300
            2     12.27215000           -16.59594400
            s-f potential
              4
            2     17.42041400           279.98868200
            2      7.63115500            62.37781000
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            p-f potential
              6
            2     16.13102400            66.16252300
            2     15.62807700           132.17439600
            2      7.32560800            16.33941700
            2      6.94251900            32.48895900
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            d-f potential
              6
            2     15.51497600            36.38744100
            2     15.18816000            54.50784100
            2      5.45602400             8.69682300
            2      5.36310500            12.84020800
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            -SB     0
            SB-ECP     3     28
            f potential
              2
            2     14.44497800           -15.36680100
            2     14.44929500           -20.29613800
            s-f potential
              4
            2     16.33086500           281.07158100
            2      8.55654200            61.71660400
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            p-f potential
              6
            2     14.47033700            67.45738000
            2     13.81619400           134.93350300
            2      8.42492400            14.71634400
            2      8.09272800            29.51851200
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            d-f potential
              6
            2     14.88633100            35.44781500
            2     15.14631900            53.14346600
            2      5.90826700             9.17922300
            2      5.59432200            13.24025300
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            -TE     0
            TE-ECP     3     28
            f potential
              2
            2     15.20616800           -15.74545000
            2     15.20170200           -20.74244800
            s-f potential
              4
            2     16.81447300           281.04584300
            2      8.79352600            61.62065600
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            p-f potential
              6
            2     14.87780100            67.44946400
            2     14.26973100           134.90430400
            2      8.72443500            14.68954700
            2      8.29151500            29.41506300
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            d-f potential
              6
            2     15.20500800            35.43205700
            2     15.22584800            53.13568700
            2      6.07176900             9.06980200
            2      5.80476000            13.12230400
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            -I     0
            I-ECP     3     28
            f potential
              4
            2     19.45860900           -21.84204000
            2     19.34926000           -28.46819100
            2      4.82376700            -0.24371300
            2      4.88431500            -0.32080400
            s-f potential
              7
            2     40.01583500            49.99429300
            2     17.42974700           281.02531700
            2      9.00548400            61.57332600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            p-f potential
              8
            2     15.35546600            67.44284100
            2     14.97183300           134.88113700
            2      8.96016400            14.67505100
            2      8.25909600            29.37566600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            d-f potential
              10
            2     15.06890800            35.43952900
            2     14.55532200            53.17605700
            2      6.71864700             9.06719500
            2      6.45639300            13.20693700
            2      1.19177900             0.08933500
            2      1.29115700             0.05238000
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            -XE     0
            XE-ECP     3     28
            f potential
              4
            2     20.88155700           -23.08929500
            2     20.78344300           -30.07447500
            2      5.25338900            -0.28822700
            2      5.36118800            -0.38692400
            s-f potential
              7
            2     40.00518400            49.99796200
            2     17.81221400           281.01330300
            2      9.30415000            61.53825500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            p-f potential
              8
            2     15.70177200            67.43914200
            2     15.25860800           134.87471100
            2      9.29218400            14.66330000
            2      8.55900300            29.35473000
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            d-f potential
              10
            2     15.18560000            35.43690800
            2     14.28450000            53.19577200
            2      7.12188900             9.04623200
            2      6.99196300            13.22368100
            2      0.62394600             0.08485300
            2      0.64728400             0.04415500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            -CS     0
            CS-ECP     3     46
            f potential
              1
            2      3.1232690            -28.8843090
            s-f potential
              3
            2      4.0797500             84.5477300
            2      2.4174060             16.6541730
            2      3.1232690             28.8843090
            p-f potential
              3
            2      5.5140800            157.0490590
            2      2.1603160             26.4233070
            2      3.1232690             28.8843090
            d-f potential
              3
            2      1.8074100             13.1727530
            2      0.8581820              3.3428330
            2      3.1232690             28.8843090
            -BA     0
            BA-ECP     3     46
            f potential
              1
            2      3.5894650            -33.4731740
            s-f potential
              3
            2      9.5269860            427.8458160
            2      4.4875100            204.4175300
            2      3.5894650             33.4731740
            p-f potential
              3
            2      8.3159300            293.6058640
            2      4.2922170            294.1933160
            2      3.5894650             33.4731740
            d-f potential
              3
            2      5.9161080            112.5504020
            2      2.8748420            181.7826210
            2      3.5894650             33.4731740
            -LA     0
            LA-ECP     3     46
            f potential
              1
            2      4.0286000            -36.0100160
            s-f potential
              3
            2      3.3099000             91.9321770
            2      1.6550000             -3.7887640
            2      4.0286000             36.0100160
            p-f potential
              3
            2      2.8368000             63.7594860
            2      1.4184000             -0.6479580
            2      4.0286000             36.0100160
            d-f potential
              3
            2      2.0213000             36.1161730
            2      1.0107000              0.2191140
            2      4.0286000             36.0100160
            -HF     0
            HF-ECP     3     60
            f potential
              1
            2      1.78576984            10.04672251
            s-f potential
              3
            2     14.76995900          1499.28471073
            2      7.38497940            40.28210136
            2      1.78576984           -10.04672251
            p-f potential
              3
            2      9.84948950           397.73300533
            2      4.92474450            19.31640586
            2      1.78576984           -10.04672251
            d-f potential
              3
            2      6.09675640           101.32980526
            2      3.04837820             5.87343821
            2      1.78576984           -10.04672251
            -TA     0
            TA-ECP     3     60
            f potential
              1
            2      2.01788111            12.01796094
            s-f potential
              3
            2     14.54640770          1345.88064703
            2      7.27320380            36.76680620
            2      2.01788111           -12.01796094
            p-f potential
              3
            2      9.93556529           378.42530145
            2      4.96778243            22.29309086
            2      2.01788111           -12.01796094
            d-f potential
              3
            2      6.34737691           104.88395571
            2      3.17368846             8.75584805
            2      2.01788111           -12.01796094
            -W     0
            W-ECP     3     60
            f potential
              1
            2      2.25888846            14.15257947
            s-f potential
              3
            2     14.32285640          1192.39588226
            2      7.16142810            32.52293315
            2      2.25888846           -14.15257947
            p-f potential
              3
            2     10.02164110           359.03196711
            2      5.01082040            24.03038019
            2      2.25888846           -14.15257947
            d-f potential
              3
            2      6.59799743           108.30134897
            2      3.29899871            10.98252827
            2      2.25888846           -14.15257947
            -RE     0
            RE-ECP     3     60
            f potential
              1
            2      2.50865059            16.44985227
            s-f potential
              3
            2     14.09930510          1038.95157226
            2      7.04965250            29.56173830
            2      2.50865059           -16.44985227
            p-f potential
              3
            2     10.10771690           339.54350965
            2      5.05385830            24.91369646
            2      2.50865059           -16.44985227
            d-f potential
              3
            2      6.84861794           111.69965275
            2      3.42430897            12.62432927
            2      2.50865059           -16.44985227
            -OS     0
            OS-ECP     3     60
            f potential
              1
            2      2.76707510            18.90945701
            s-f potential
              3
            2     13.87575390           885.40571914
            2      6.93787690            25.96704014
            2      2.76707510           -18.90945701
            p-f potential
              3
            2     10.19379260           320.08390185
            2      5.09689620            26.14876493
            2      2.76707510           -18.90945701
            d-f potential
              3
            2      7.09923846           115.04484313
            2      3.54961923            13.62257457
            2      2.76707510           -18.90945701
            -IR     0
            IR-ECP     3     60
            f potential
              1
            2      3.03407192            21.53103107
            s-f potential
              3
            2     13.65220260           732.26919978
            2      6.82610130            26.48472087
            2      3.03407192           -21.53103107
            p-f potential
              3
            2     10.27986840           299.48947357
            2      5.13993410            26.46623354
            2      3.03407192           -21.53103107
            d-f potential
              3
            2      7.34985897           124.45759451
            2      3.67492949            14.03599518
            2      3.03407192           -21.53103107
            -PT     0
            PT-ECP     3     60
            f potential
              1
            2      3.30956857            24.31437573
            s-f potential
              3
            2     13.42865130           579.22386092
            2      6.71432560            29.66949062
            2      3.30956857           -24.31437573
            p-f potential
              3
            2     10.36594420           280.86077422
            2      5.18297210            26.74538204
            2      3.30956857           -24.31437573
            d-f potential
              3
            2      7.60047949           120.39644429
            2      3.80023974            15.81092058
            2      3.30956857           -24.31437573
            -AU     0
            AU-ECP     3     60
            f potential
              2
            2      4.78982000            30.49008890
            2      2.39491000             5.17107381
            s-f potential
              4
            2     13.20510000           426.84667920
            2      6.60255000            37.00708285
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            p-f potential
              4
            2     10.45202000           261.19958038
            2      5.22601000            26.96249604
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            d-f potential
              4
            2      7.85110000           124.79066561
            2      3.92555000            16.30072573
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            -HG     0
            HG-ECP     3     60
            f potential
              1
            2      3.88579112            30.36499643
            s-f potential
              3
            2     12.98154870           275.73721174
            2      6.49077440            49.08921249
            2      3.88579112           -30.36499643
            p-f potential
              3
            2     10.53809580           241.54007398
            2      5.26904790            27.39659081
            2      3.88579112           -30.36499643
            d-f potential
              3
            2      8.10172051           127.86700761
            2      4.05086026            16.60831151
            2      3.88579112           -30.36499643
            -TL     0
            TL-ECP     3     60
            f potential
              4
            2      5.62639900            15.82548800
            2      5.54895200            21.10402100
            2      2.87494600             2.91512700
            2      2.82145100             3.89690300
            s-f potential
              6
            2     12.16780500           281.28466300
            2      8.29490900            62.43425100
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            p-f potential
              8
            2      7.15149200             4.63340800
            2      5.17286500             9.34175600
            2      9.89107200            72.29925300
            2      9.00339100           144.55803700
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            d-f potential
              8
            2      7.13021800            35.94303900
            2      6.92690600            53.90959300
            2      5.41757000            10.38193900
            2      5.13868100            15.58382200
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            -PB     0
            PB-ECP     3     60
            f potential
              2
            2      3.88751200            12.20989200
            2      3.81196300            16.19029100
            s-f potential
              4
            2     12.29630300           281.28549900
            2      8.63263400            62.52021700
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            p-f potential
              6
            2     10.24179000            72.27689700
            2      8.92417600           144.59108300
            2      6.58134200             4.75869300
            2      6.25540300             9.94062100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            d-f potential
              6
            2      7.75433600            35.84850700
            2      7.72028100            53.72434200
            2      4.97026400            10.11525600
            2      4.56378900            14.83373100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            -BI     0
            BI-ECP     3     60
            f potential
              2
            2      4.21454600            13.71338300
            2      4.13340000            18.19430800
            s-f potential
              4
            2     13.04309000           283.26422700
            2      8.22168200            62.47195900
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            p-f potential
              6
            2     10.46777700            72.00149900
            2      9.11890100           144.00227700
            2      6.75479100             5.00794500
            2      6.25259200             9.99155000
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            d-f potential
              6
            2      8.08147400            36.39625900
            2      7.89059500            54.59766400
            2      4.95555600             9.98429400
            2      4.70455900            14.98148500
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            -PO     0
            PO-ECP     3     60
            f potential
              4
            2      5.01327000            17.42829500
            2      4.98464000            23.38035300
            2      1.32676000             0.16339200
            2      1.52875800             0.32456600
            s-f potential
              6
            2     13.27722700           283.24470600
            2      8.39951800            62.39646100
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            p-f potential
              8
            2     10.66568200            71.99171600
            2      9.28375300           143.97187100
            2      6.87274900             4.94961500
            2      6.32615000             9.74049900
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            d-f potential
              8
            2      8.21486600            36.37838300
            2      8.00869600            54.56271500
            2      5.05522700             9.88949900
            2      4.78255300            14.69387700
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            -AT     0
            AT-ECP     3     60
            f potential
              4
            2      5.81216300            19.87019800
            2      5.75371500            26.41645200
            2      2.51347200             0.99497000
            2      2.53626100             1.49070100
            s-f potential
              7
            2     30.20083200            49.95715800
            2     13.61230600           283.21037100
            2      8.52934000            62.28105200
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            p-f potential
              8
            2     10.85406500            71.98237100
            2      9.46822900           143.90353200
            2      7.03111400             4.87175900
            2      6.14385800             8.98305900
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            d-f potential
              8
            2      8.31351500            36.36323700
            2      7.99896500            54.54897000
            2      5.17996600             9.77628500
            2      4.94222600            14.26475500
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            -RN     0
            RN-ECP     3     60
            f potential
              4
            2      6.34857100            21.79729000
            2      6.29594900            28.94680500
            2      2.88211800             1.44736500
            2      2.90804800             2.17796400
            s-f potential
              7
            2     30.15124200            49.96555100
            2     14.52124100           283.07000000
            2      8.05203800            62.00287000
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            p-f potential
              8
            2     11.00994200            71.96911900
            2      9.61762500           143.86055900
            2      7.33600800             4.71476100
            2      6.40625300             9.01306500
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            d-f potential
              8
            2      8.36922000            36.36836500
            2      8.11697500            54.55176100
            2      5.35365600             9.63448700
            2      5.09721200            14.38790200
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/B3LYPDBJ_def2SVPD/Gau-13020.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/B3LYPDBJ_def2SVPD/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=     13024.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                12-Aug-2021 
 ******************************************
 %NoSave
 %nproc=8
 Will use up to    8 processors via shared memory.
 %mem=40GB
 %chk=26_junionone_conformer02_STD_B3LYPDBJ_def2SVPD
 ----------------------------------------------------------------------
 #P B3LYP/Gen EmpiricalDispersion=GD3BJ Integral=UltraFineGrid SCF=(NoS
 ymm,MaxCyc=120) Polar=ROA Guess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-5,75=-5,116=-2,124=41/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Thu Aug 12 20:40:41 2021, MaxMem=  5368709120 cpu:               1.1 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "26_junionone_conformer02_STD_B3LYPDBJ_def2SVPD.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                 1.530099000000     -1.508264000000      1.055941000000
  C                                                 1.992159000000     -0.420719000000      0.101332000000
  C                                                 0.876932000000      0.415329000000     -0.653089000000
  C                                                -0.458897000000      0.388684000000     -0.019490000000
  C                                                -1.593028000000      0.006415000000     -0.609535000000
  C                                                -2.888593000000      0.009125000000      0.113412000000
  O                                                -2.988808000000      0.357087000000      1.273828000000
  C                                                 2.991586000000     -0.980627000000     -0.904352000000
  C                                                 2.495653000000      0.903435000000      0.738484000000
  C                                                 1.692114000000      1.700286000000     -0.311172000000
  C                                                -4.090420000000     -0.451292000000     -0.680206000000
  H                                                 3.575623000000      1.052608000000      0.763044000000
  H                                                 2.105043000000      1.042496000000      1.747169000000
  H                                                 0.794893000000      0.176326000000     -1.714627000000
  H                                                 1.113755000000      2.550616000000      0.047344000000
  H                                                 2.299691000000      2.026935000000     -1.153691000000
  H                                                 0.828612000000     -1.129461000000      1.799490000000
  H                                                 2.386498000000     -1.929915000000      1.588481000000
  H                                                 1.037863000000     -2.321547000000      0.516973000000
  H                                                 3.338078000000     -0.213622000000     -1.599830000000
  H                                                 2.542413000000     -1.786694000000     -1.489631000000
  H                                                 3.866547000000     -1.384606000000     -0.389083000000
  H                                                -0.531254000000      0.709327000000      1.016743000000
  H                                                -1.593669000000     -0.320419000000     -1.644436000000
  H                                                -3.932675000000     -1.470886000000     -1.042306000000
  H                                                -4.222470000000      0.181706000000     -1.561921000000
  H                                                -4.984113000000     -0.413788000000     -0.062287000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 ITRead=  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 MicOpt= -1 -1 -1 -1 -1 -1 -1
 NAtoms=     27 NQM=       27 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          12          12          12          16          12          12          12
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  15.9949146  12.0000000  12.0000000  12.0000000
 NucSpn=           0           0           0           0           0           0           0           0           0           0
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   5.6000000   3.6000000   3.6000000   3.6000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   8.0000000   6.0000000   6.0000000   6.0000000

  Atom        11          12          13          14          15          16          17          18          19          20
 IAtWgt=          12           1           1           1           1           1           1           1           1           1
 AtmWgt=  12.0000000   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           0           1           1           1           1           1           1           1           1           1
 AtZEff=   3.6000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   6.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000

  Atom        21          22          23          24          25          26          27
 IAtWgt=           1           1           1           1           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           1           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.085645
 Leave Link  101 at Thu Aug 12 20:40:42 2021, MaxMem=  5368709120 cpu:               1.0 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        1.530099   -1.508264    1.055941
      2          6           0        1.992159   -0.420719    0.101332
      3          6           0        0.876932    0.415329   -0.653089
      4          6           0       -0.458897    0.388684   -0.019490
      5          6           0       -1.593028    0.006415   -0.609535
      6          6           0       -2.888593    0.009125    0.113412
      7          8           0       -2.988808    0.357087    1.273828
      8          6           0        2.991586   -0.980627   -0.904352
      9          6           0        2.495653    0.903435    0.738484
     10          6           0        1.692114    1.700286   -0.311172
     11          6           0       -4.090420   -0.451292   -0.680206
     12          1           0        3.575623    1.052608    0.763044
     13          1           0        2.105043    1.042496    1.747169
     14          1           0        0.794893    0.176326   -1.714627
     15          1           0        1.113755    2.550616    0.047344
     16          1           0        2.299691    2.026935   -1.153691
     17          1           0        0.828612   -1.129461    1.799490
     18          1           0        2.386498   -1.929915    1.588481
     19          1           0        1.037863   -2.321547    0.516973
     20          1           0        3.338078   -0.213622   -1.599830
     21          1           0        2.542413   -1.786694   -1.489631
     22          1           0        3.866547   -1.384606   -0.389083
     23          1           0       -0.531254    0.709327    1.016743
     24          1           0       -1.593669   -0.320419   -1.644436
     25          1           0       -3.932675   -1.470886   -1.042306
     26          1           0       -4.222470    0.181706   -1.561921
     27          1           0       -4.984113   -0.413788   -0.062287
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.519056   0.000000
     3  C    2.654736   1.584884   0.000000
     4  C    2.951452   2.584068   1.478715   0.000000
     5  C    3.849933   3.679856   2.503959   1.334367   0.000000
     6  C    4.766096   4.899658   3.864156   2.462753   1.483627
     7  O    4.893621   5.175883   4.319762   2.841500   2.370280
     8  C    2.501418   1.524386   2.546289   3.816258   4.698921
     9  C    2.617129   1.553336   2.189744   3.093357   4.397626
    10  C    3.491424   2.181479   1.559661   2.536183   3.708150
    11  C    5.976757   6.132659   5.042455   3.785507   2.539972
    12  H    3.290596   2.261839   3.113598   4.162992   5.449169
    13  H    2.704576   2.205112   2.768182   3.181563   4.505912
    14  H    3.324819   2.255574   1.091199   2.119098   2.636715
    15  H    4.202989   3.098926   2.259677   2.674257   3.772416
    16  H    4.239384   2.767791   2.207288   3.402953   4.419487
    17  H    1.090156   2.177131   2.898940   2.696504   3.599716
    18  H    1.093073   2.155177   3.578211   4.007212   4.941384
    19  H    1.092800   2.167161   2.980845   3.142202   3.689175
    20  H    3.463814   2.179068   2.710929   4.156593   5.034373
    21  H    2.753587   2.167909   2.884880   3.987662   4.592568
    22  H    2.749977   2.164004   3.499609   4.689416   5.638306
    23  H    3.027940   2.912489   2.204033   1.087118   2.065485
    24  H    4.296619   3.989477   2.761877   2.104990   1.085284
    25  H    5.852003   6.124901   5.180890   4.070785   2.800653
    26  H    6.542266   6.461497   5.185022   4.072642   2.802094
    27  H    6.699498   6.978194   5.948809   4.596017   3.460565
                    6          7          8          9         10
     6  C    0.000000
     7  O    1.215601   0.000000
     8  C    6.049129   6.503773   0.000000
     9  C    5.493688   5.537545   2.548441   0.000000
    10  C    4.901344   5.121273   3.037727   1.543510   0.000000
    11  C    1.512019   2.384381   7.105297   6.871996   6.180872
    12  H    6.580043   6.620907   2.693576   1.090500   2.262970
    13  H    5.354757   5.161507   3.451021   1.090578   2.199992
    14  H    4.115550   4.824928   2.611617   3.072300   2.257686
    15  H    4.741554   4.811118   4.111162   2.258433   1.089079
    16  H    5.709238   6.053880   3.096178   2.209294   1.088893
    17  H    4.237552   4.130235   3.465742   2.835035   3.634281
    18  H    5.810533   5.850068   2.735232   2.960115   4.155624
    19  H    4.583879   4.895098   2.763198   3.546086   4.158005
    20  H    6.461907   6.972310   1.091807   2.724924   2.834234
    21  H    5.940584   6.544227   1.092727   3.493348   3.777672
    22  H    6.915700   7.265993   1.092821   2.895840   3.775022
    23  H    2.619797   2.495944   4.353958   3.045861   2.772855
    24  H    2.208044   3.304798   4.691286   4.888628   4.081325
    25  H    2.148540   3.097878   6.942966   7.080396   6.498395
    26  H    2.148430   3.097443   7.336622   7.137642   6.233198
    27  H    2.144978   2.522042   8.040034   7.636963   7.007372
                   11         12         13         14         15
    11  C    0.000000
    12  H    7.944363   0.000000
    13  H    6.819627   1.769522   0.000000
    14  H    5.032913   3.826119   3.801418   0.000000
    15  H    6.051795   2.969352   2.479210   2.973797   0.000000
    16  H    6.870176   2.500238   3.069527   2.450269   1.767250
    17  H    5.550287   3.658103   2.519804   3.749031   4.085865
    18  H    7.020237   3.315239   2.989921   4.228473   4.906132
    19  H    5.588415   4.229149   3.737518   3.358339   4.895333
    20  H    7.488977   2.691271   3.781615   2.575467   3.911752
    21  H    6.814172   3.768780   4.321167   2.637783   4.818258
    22  H    8.016804   2.711466   3.682023   3.691698   4.822272
    23  H    4.110272   4.129000   2.755828   3.082716   2.652571
    24  H    2.679670   5.865385   5.200095   2.440678   4.293612
    25  H    1.093422   8.124152   7.110014   5.051259   6.544178
    26  H    1.093410   8.183776   7.192250   5.019689   6.056135
    27  H    1.087160   8.723564   7.459962   6.039484   6.781129
                   16         17         18         19         20
    16  H    0.000000
    17  H    4.565982   0.000000
    18  H    4.814946   1.764160   0.000000
    19  H    4.826243   1.763436   1.766443   0.000000
    20  H    2.509459   4.323373   3.743861   3.770304   0.000000
    21  H    3.836083   3.766615   3.085384   2.564410   1.766290
    22  H    3.831224   3.752866   2.529559   3.114522   1.765330
    23  H    3.802778   2.417244   3.975646   3.449362   4.761304
    24  H    4.572653   4.287496   5.374380   3.949831   4.933105
    25  H    7.147695   5.555378   6.860298   5.278373   7.399689
    26  H    6.790442   6.207389   7.619871   6.185400   7.570971
    27  H    7.759001   6.145419   7.703868   6.343444   8.465398
                   21         22         23         24         25
    21  H    0.000000
    22  H    1.768110   0.000000
    23  H    4.686092   5.069670   0.000000
    24  H    4.391025   5.702838   3.044828   0.000000
    25  H    6.498200   7.827005   4.534609   2.675273   0.000000
    26  H    7.045812   8.322324   4.533538   2.677598   1.756429
    27  H    7.782723   8.909740   4.717377   3.742596   1.784213
                   26         27
    26  H    0.000000
    27  H    1.784269   0.000000
 Stoichiometry    C10H16O
 Framework group  C1[X(C10H16O)]
 Deg. of freedom    75
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 1.11D-15
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        1.530099   -1.508264    1.055941
      2          6           0        1.992159   -0.420719    0.101332
      3          6           0        0.876932    0.415329   -0.653089
      4          6           0       -0.458897    0.388684   -0.019490
      5          6           0       -1.593028    0.006415   -0.609535
      6          6           0       -2.888593    0.009125    0.113412
      7          8           0       -2.988808    0.357087    1.273828
      8          6           0        2.991586   -0.980627   -0.904352
      9          6           0        2.495653    0.903435    0.738484
     10          6           0        1.692114    1.700286   -0.311172
     11          6           0       -4.090420   -0.451292   -0.680206
     12          1           0        3.575623    1.052608    0.763044
     13          1           0        2.105043    1.042496    1.747169
     14          1           0        0.794893    0.176326   -1.714627
     15          1           0        1.113755    2.550616    0.047344
     16          1           0        2.299691    2.026935   -1.153691
     17          1           0        0.828612   -1.129461    1.799490
     18          1           0        2.386498   -1.929915    1.588481
     19          1           0        1.037863   -2.321547    0.516973
     20          1           0        3.338078   -0.213622   -1.599830
     21          1           0        2.542413   -1.786694   -1.489631
     22          1           0        3.866547   -1.384606   -0.389083
     23          1           0       -0.531254    0.709327    1.016743
     24          1           0       -1.593669   -0.320419   -1.644436
     25          1           0       -3.932675   -1.470886   -1.042306
     26          1           0       -4.222470    0.181706   -1.561921
     27          1           0       -4.984113   -0.413788   -0.062287
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           2.2586681           0.5040654           0.4908743
 Leave Link  202 at Thu Aug 12 20:40:42 2021, MaxMem=  5368709120 cpu:               0.2 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:      12     13     14     15     16     17     18     19     20     21
 Centers:      22     23     24     25     26     27
 S 3 1.00
     Exponent=  1.3010701000D+01 Coefficients=  1.9682158000D-02
     Exponent=  1.9622572000D+00 Coefficients=  1.3796524000D-01
     Exponent=  4.4453796000D-01 Coefficients=  4.7831935000D-01
 S 1 1.00
     Exponent=  1.2194962000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.1704099050D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3      4      5      6      8      9     10     11
 S 5 1.00
     Exponent=  1.2384016938D+03 Coefficients=  5.4568832082D-03
     Exponent=  1.8629004992D+02 Coefficients=  4.0638409211D-02
     Exponent=  4.2251176346D+01 Coefficients=  1.8025593888D-01
     Exponent=  1.1676557932D+01 Coefficients=  4.6315121755D-01
     Exponent=  3.5930506482D+00 Coefficients=  4.4087173314D-01
 S 1 1.00
     Exponent=  4.0245147363D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  1.3090182668D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  6.7053540256D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  9.4680970621D+00 Coefficients=  3.8387871728D-02
     Exponent=  2.0103545142D+00 Coefficients=  2.1117025112D-01
     Exponent=  5.4771004707D-01 Coefficients=  5.1328172114D-01
 P 1 1.00
     Exponent=  1.5268613795D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1713185140D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       7
 S 5 1.00
     Exponent=  2.2661767785D+03 Coefficients= -5.3431809926D-03
     Exponent=  3.4087010191D+02 Coefficients= -3.9890039230D-02
     Exponent=  7.7363135167D+01 Coefficients= -1.7853911985D-01
     Exponent=  2.1479644940D+01 Coefficients= -4.6427684959D-01
     Exponent=  6.6589433124D+00 Coefficients= -4.4309745172D-01
 S 1 1.00
     Exponent=  8.0975975668D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.5530772234D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  7.6572453250D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  1.7721504317D+01 Coefficients=  4.3394573193D-02
     Exponent=  3.8635505440D+00 Coefficients=  2.3094120765D-01
     Exponent=  1.0480920883D+00 Coefficients=  5.1375311064D-01
 P 1 1.00
     Exponent=  2.7641544411D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  6.9002276350D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.2000000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.7992024323D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 There are   373 symmetry adapted cartesian basis functions of A   symmetry.
 There are   351 symmetry adapted basis functions of A   symmetry.
   351 basis functions,   515 primitive gaussians,   373 cartesian basis functions
    42 alpha electrons       42 beta electrons
       nuclear repulsion energy       609.3387863805 Hartrees.
 IExCor=  402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX=  0.200000
 ScaDFX=  0.800000  0.720000  1.000000  0.810000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=141
 NAtoms=   27 NActive=   27 NUniq=   27 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 R6Disp:  Grimme-D3(BJ) Dispersion energy=       -0.0449229138 Hartrees.
 Nuclear repulsion after empirical dispersion term =      609.2938634668 Hartrees.
 Leave Link  301 at Thu Aug 12 20:40:44 2021, MaxMem=  5368709120 cpu:               7.0 elap:               0.9
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   351 RedAO= T EigKep=  1.68D-05  NBF=   351
 NBsUse=   351 1.00D-06 EigRej= -1.00D+00 NBFU=   351
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   373   373   373   373   373 MxSgAt=    27 MxSgA2=    27.
 Leave Link  302 at Thu Aug 12 20:40:45 2021, MaxMem=  5368709120 cpu:               5.3 elap:               0.7
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Thu Aug 12 20:40:45 2021, MaxMem=  5368709120 cpu:               0.7 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "26_junionone_conformer02_STD_B3LYPDBJ_def2SVPD.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=    -0.000000   -0.000000    0.000000
         Rot=    1.000000   -0.000000   -0.000000    0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Thu Aug 12 20:40:46 2021, MaxMem=  5368709120 cpu:               5.1 elap:               0.7
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  5368709120 LenX=  5368424127 LenY=  5368284557
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=F KAlg= 0 I1Cent=           0 FoldK=F
 IRaf= 950000000 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=         0 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -465.618513052295    
 DIIS: error= 2.56D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -465.618513052295     IErMin= 1 ErrMin= 2.56D-03
 ErrMax= 2.56D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.04D-03 BMatP= 8.04D-03
 IDIUse=3 WtCom= 9.74D-01 WtEn= 2.56D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.191 Goal=   None    Shift=    0.000
 GapD=    0.191 DampG=1.000 DampE=1.000 DampFc=1.0000 IDamp=-1.
 RMSDP=1.30D-02 MaxDP=1.21D+00              OVMax= 1.48D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  1.12D-02    CP:  1.31D+00
 E= -465.625400972749     Delta-E=       -0.006887920454 Rises=F Damp=F
 DIIS: error= 6.13D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -465.625400972749     IErMin= 2 ErrMin= 6.13D-04
 ErrMax= 6.13D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.43D-04 BMatP= 8.04D-03
 IDIUse=3 WtCom= 9.94D-01 WtEn= 6.13D-03
 Coeff-Com:  0.327D-01 0.967D+00
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:      0.325D-01 0.968D+00
 Gap=     0.196 Goal=   None    Shift=    0.000
 RMSDP=5.62D-04 MaxDP=6.01D-02 DE=-6.89D-03 OVMax= 8.27D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  2.34D-04    CP:  1.32D+00  1.04D+00
 E= -465.625105090850     Delta-E=        0.000295881899 Rises=F Damp=F
 DIIS: error= 1.01D-03 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 2 EnMin= -465.625400972749     IErMin= 2 ErrMin= 6.13D-04
 ErrMax= 1.01D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.53D-04 BMatP= 2.43D-04
 IDIUse=3 WtCom= 2.40D-01 WtEn= 7.60D-01
 Coeff-Com: -0.117D-01 0.631D+00 0.381D+00
 Coeff-En:   0.000D+00 0.679D+00 0.321D+00
 Coeff:     -0.282D-02 0.668D+00 0.335D+00
 Gap=     0.192 Goal=   None    Shift=    0.000
 RMSDP=1.05D-04 MaxDP=5.84D-03 DE= 2.96D-04 OVMax= 6.01D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  7.84D-05    CP:  1.32D+00  1.04D+00  6.99D-01
 E= -465.625606830224     Delta-E=       -0.000501739374 Rises=F Damp=F
 DIIS: error= 1.66D-04 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -465.625606830224     IErMin= 4 ErrMin= 1.66D-04
 ErrMax= 1.66D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.38D-05 BMatP= 2.43D-04
 IDIUse=3 WtCom= 9.98D-01 WtEn= 1.66D-03
 Coeff-Com: -0.884D-02 0.320D+00 0.181D+00 0.508D+00
 Coeff-En:   0.000D+00 0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.883D-02 0.319D+00 0.181D+00 0.508D+00
 Gap=     0.192 Goal=   None    Shift=    0.000
 RMSDP=3.67D-05 MaxDP=1.94D-03 DE=-5.02D-04 OVMax= 7.72D-04

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  2.91D-05    CP:  1.32D+00  1.04D+00  6.23D-01  9.10D-01
 E= -465.625621344880     Delta-E=       -0.000014514656 Rises=F Damp=F
 DIIS: error= 2.95D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -465.625621344880     IErMin= 5 ErrMin= 2.95D-05
 ErrMax= 2.95D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.51D-07 BMatP= 1.38D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.174D-02 0.333D-01 0.235D-01 0.141D+00 0.804D+00
 Coeff:     -0.174D-02 0.333D-01 0.235D-01 0.141D+00 0.804D+00
 Gap=     0.192 Goal=   None    Shift=    0.000
 RMSDP=1.24D-05 MaxDP=7.08D-04 DE=-1.45D-05 OVMax= 1.74D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  7.43D-06    CP:  1.32D+00  1.04D+00  6.40D-01  8.90D-01  9.22D-01
 E= -465.625621623498     Delta-E=       -0.000000278618 Rises=F Damp=F
 DIIS: error= 1.18D-05 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -465.625621623498     IErMin= 6 ErrMin= 1.18D-05
 ErrMax= 1.18D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.12D-07 BMatP= 3.51D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.529D-03 0.247D-02 0.403D-02 0.516D-01 0.452D+00 0.491D+00
 Coeff:     -0.529D-03 0.247D-02 0.403D-02 0.516D-01 0.452D+00 0.491D+00
 Gap=     0.192 Goal=   None    Shift=    0.000
 RMSDP=3.16D-06 MaxDP=8.50D-05 DE=-2.79D-07 OVMax= 9.05D-05

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  2.20D-06    CP:  1.32D+00  1.04D+00  6.39D-01  8.99D-01  9.36D-01
                    CP:  7.14D-01
 E= -465.625621729910     Delta-E=       -0.000000106412 Rises=F Damp=F
 DIIS: error= 1.77D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -465.625621729910     IErMin= 7 ErrMin= 1.77D-06
 ErrMax= 1.77D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.53D-09 BMatP= 1.12D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.112D-03-0.117D-02 0.815D-04 0.120D-01 0.142D+00 0.215D+00
 Coeff-Com:  0.633D+00
 Coeff:     -0.112D-03-0.117D-02 0.815D-04 0.120D-01 0.142D+00 0.215D+00
 Coeff:      0.633D+00
 Gap=     0.192 Goal=   None    Shift=    0.000
 RMSDP=8.84D-07 MaxDP=3.03D-05 DE=-1.06D-07 OVMax= 3.47D-05

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  7.50D-07    CP:  1.32D+00  1.04D+00  6.39D-01  9.01D-01  9.40D-01
                    CP:  7.01D-01  8.72D-01
 E= -465.625621732870     Delta-E=       -0.000000002960 Rises=F Damp=F
 DIIS: error= 9.11D-07 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -465.625621732870     IErMin= 8 ErrMin= 9.11D-07
 ErrMax= 9.11D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.68D-10 BMatP= 3.53D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.191D-04-0.835D-03-0.265D-03 0.193D-02 0.400D-01 0.785D-01
 Coeff-Com:  0.382D+00 0.499D+00
 Coeff:     -0.191D-04-0.835D-03-0.265D-03 0.193D-02 0.400D-01 0.785D-01
 Coeff:      0.382D+00 0.499D+00
 Gap=     0.192 Goal=   None    Shift=    0.000
 RMSDP=3.02D-07 MaxDP=9.07D-06 DE=-2.96D-09 OVMax= 1.77D-05

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  1.89D-07    CP:  1.32D+00  1.04D+00  6.39D-01  9.01D-01  9.42D-01
                    CP:  7.08D-01  8.81D-01  7.11D-01
 E= -465.625621733740     Delta-E=       -0.000000000870 Rises=F Damp=F
 DIIS: error= 2.57D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -465.625621733740     IErMin= 9 ErrMin= 2.57D-07
 ErrMax= 2.57D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.22D-11 BMatP= 8.68D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.494D-05-0.352D-03-0.150D-03-0.597D-03 0.433D-02 0.162D-01
 Coeff-Com:  0.137D+00 0.282D+00 0.562D+00
 Coeff:      0.494D-05-0.352D-03-0.150D-03-0.597D-03 0.433D-02 0.162D-01
 Coeff:      0.137D+00 0.282D+00 0.562D+00
 Gap=     0.192 Goal=   None    Shift=    0.000
 RMSDP=9.03D-08 MaxDP=3.21D-06 DE=-8.70D-10 OVMax= 4.61D-06

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  6.49D-08    CP:  1.32D+00  1.04D+00  6.39D-01  9.00D-01  9.41D-01
                    CP:  7.09D-01  8.92D-01  6.93D-01  7.07D-01
 E= -465.625621733796     Delta-E=       -0.000000000055 Rises=F Damp=F
 DIIS: error= 4.43D-08 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -465.625621733796     IErMin=10 ErrMin= 4.43D-08
 ErrMax= 4.43D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.18D-12 BMatP= 8.22D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.311D-05-0.116D-03-0.416D-04-0.390D-03-0.628D-04 0.326D-02
 Coeff-Com:  0.429D-01 0.995D-01 0.257D+00 0.598D+00
 Coeff:      0.311D-05-0.116D-03-0.416D-04-0.390D-03-0.628D-04 0.326D-02
 Coeff:      0.429D-01 0.995D-01 0.257D+00 0.598D+00
 Gap=     0.192 Goal=   None    Shift=    0.000
 RMSDP=1.92D-08 MaxDP=6.68D-07 DE=-5.55D-11 OVMax= 5.84D-07

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  1.44D-08    CP:  1.32D+00  1.04D+00  6.39D-01  9.00D-01  9.41D-01
                    CP:  7.10D-01  8.91D-01  7.00D-01  7.12D-01  8.55D-01
 E= -465.625621733806     Delta-E=       -0.000000000010 Rises=F Damp=F
 DIIS: error= 1.39D-08 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=11 EnMin= -465.625621733806     IErMin=11 ErrMin= 1.39D-08
 ErrMax= 1.39D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.38D-13 BMatP= 3.18D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.982D-06-0.201D-04-0.460D-06-0.134D-03-0.435D-03-0.183D-04
 Coeff-Com:  0.704D-02 0.183D-01 0.644D-01 0.257D+00 0.654D+00
 Coeff:      0.982D-06-0.201D-04-0.460D-06-0.134D-03-0.435D-03-0.183D-04
 Coeff:      0.704D-02 0.183D-01 0.644D-01 0.257D+00 0.654D+00
 Gap=     0.192 Goal=   None    Shift=    0.000
 RMSDP=5.06D-09 MaxDP=2.87D-07 DE=-1.00D-11 OVMax= 1.09D-07

 SCF Done:  E(RB3LYP) =  -465.625621734     A.U. after   11 cycles
            NFock= 11  Conv=0.51D-08     -V/T= 2.0117
 KE= 4.602568804497D+02 PE=-2.296820356949D+03 EE= 7.616439912987D+02
 Leave Link  502 at Thu Aug 12 20:43:35 2021, MaxMem=  5368709120 cpu:            1348.4 elap:             168.8
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   351
 NBasis=   351 NAE=    42 NBE=    42 NFC=     0 NFV=     0
 NROrb=    351 NOA=    42 NOB=    42 NVA=   309 NVB=   309

 **** Warning!!: The largest alpha MO coefficient is  0.45706554D+02

 Leave Link  801 at Thu Aug 12 20:43:36 2021, MaxMem=  5368709120 cpu:               0.5 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         8180 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    5368709120 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.085645
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          27
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=F KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 2.16D-13 8.33D-09 XBig12= 1.00D+00 7.11D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 2.16D-13 8.33D-09 XBig12= 2.98D-01 9.89D-02.
     11 vectors produced by pass  2 Test12= 2.16D-13 8.33D-09 XBig12= 6.79D-02 1.02D-01.
     11 vectors produced by pass  3 Test12= 2.16D-13 8.33D-09 XBig12= 1.01D-02 3.15D-02.
     11 vectors produced by pass  4 Test12= 2.16D-13 8.33D-09 XBig12= 1.60D-03 1.00D-02.
     11 vectors produced by pass  5 Test12= 2.16D-13 8.33D-09 XBig12= 8.73D-05 1.38D-03.
     11 vectors produced by pass  6 Test12= 2.16D-13 8.33D-09 XBig12= 2.30D-06 2.27D-04.
     11 vectors produced by pass  7 Test12= 2.16D-13 8.33D-09 XBig12= 4.03D-08 3.87D-05.
     11 vectors produced by pass  8 Test12= 2.16D-13 8.33D-09 XBig12= 7.45D-10 6.95D-06.
      9 vectors produced by pass  9 Test12= 2.16D-13 8.33D-09 XBig12= 7.35D-12 6.62D-07.
      3 vectors produced by pass 10 Test12= 2.16D-13 8.33D-09 XBig12= 6.26D-14 4.57D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 8.53D-14
 Solved reduced A of dimension   111 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.085645:
                1             2             3 
      1  0.176284D+03
      2  0.566343D+01  0.109246D+03
      3  0.259876D+01  0.316030D+01  0.113212D+03
 Isotropic polarizability for W=    0.085645      132.91 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.085645:
                 1             2             3 
      1  -0.892864D+02 -0.279010D+02 -0.270193D+01
      2   0.757562D+02  0.528987D+01  0.905342D+01
      3   0.135302D+02  0.226111D+02 -0.635149D+01
      4  -0.403628D+02  0.954342D+02 -0.271841D+02
      5  -0.334582D+02 -0.293544D+02  0.454088D+01
      6  -0.138857D+02 -0.182689D+02 -0.124669D+02
 Dipole-magnetic dipole polarizability for W=    0.085645:
                 1             2             3 
      1  -0.723156D+01 -0.813187D+01  0.539689D+01
      2   0.351807D+02 -0.906039D+01  0.328226D+01
      3   0.263305D+02 -0.403960D+02  0.144689D+02
 DQ contribution to OR G for W=    0.085645:
                 1             2             3 
      1  -0.217036D+01 -0.273223D+02  0.350781D+02
      2   0.307563D+02 -0.132984D+02 -0.898932D+01
      3  -0.124618D+02 -0.196780D+02  0.154687D+02
 Optical Rotation G' tensor for W=    0.085645:
                 1             2             3 
      1   0.216169D+01 -0.633296D+01 -0.510480D+01
      2  -0.633296D+01  0.294092D+00  0.569501D+01
      3  -0.510480D+01  0.569501D+01 -0.427879D+01
 OR G Eigenvalues:    -8.2209    -4.9317    11.3296  Iso=     0.6077
 Eigenvectors:
   (1)   0.132798  -0.480880   0.866671
   (2)   0.736604   0.632942   0.238325
   (3)   0.663159  -0.606744  -0.438272
 w=    0.085645 a.u., Optical Rotation Beta=      0.6077 au.
 Molar Mass =    152.2358 grams/mole, [Alpha] ( 5320.0 A) =      189.31 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=   61776 ScalPx= 4.18D+01
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   61776 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 1.77D+03
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 3.60D-14 2.78D-09 XBig12= 1.00D+00 4.99D-01.
     30 vectors produced by pass  1 Test12= 3.60D-14 2.78D-09 XBig12= 7.46D-02 6.72D-02.
     30 vectors produced by pass  2 Test12= 3.60D-14 2.78D-09 XBig12= 2.03D-03 8.71D-03.
     30 vectors produced by pass  3 Test12= 3.60D-14 2.78D-09 XBig12= 2.42D-05 7.21D-04.
     30 vectors produced by pass  4 Test12= 3.60D-14 2.78D-09 XBig12= 3.62D-07 6.84D-05.
     30 vectors produced by pass  5 Test12= 3.60D-14 2.78D-09 XBig12= 2.56D-09 5.50D-06.
     30 vectors produced by pass  6 Test12= 3.60D-14 2.78D-09 XBig12= 8.55D-12 3.54D-07.
     16 vectors produced by pass  7 Test12= 3.60D-14 2.78D-09 XBig12= 1.70D-14 1.17D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 2.44D-15
 Solved reduced A of dimension   226 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   61776 ScalPx= 3.12D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   61776 ScalPx= 3.12D+03
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   61776 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 1.36D+03
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.176284D+03  0.566343D+01  0.259876D+01
      2   0.566343D+01  0.109246D+03  0.316030D+01
      3   0.259876D+01  0.316030D+01  0.113212D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1  -0.723156D+01 -0.813187D+01  0.539689D+01
      2   0.351807D+02 -0.906039D+01  0.328226D+01
      3   0.263305D+02 -0.403960D+02  0.144689D+02
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1  -0.892864D+02 -0.279010D+02 -0.270193D+01
      2   0.757562D+02  0.528987D+01  0.905342D+01
      3   0.135302D+02  0.226111D+02 -0.635149D+01
      4  -0.403628D+02  0.954342D+02 -0.271841D+02
      5  -0.334582D+02 -0.293544D+02  0.454088D+01
      6  -0.138857D+02 -0.182689D+02 -0.124669D+02
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    81 ND12= 1 LenFil=    2919:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.370384D+01  0.230196D+01 -0.397945D+01  0.151383D+01  0.413454D+00
      2   0.230196D+01  0.264094D+00  0.394465D+01  0.413454D+00  0.315115D+01
      3  -0.397945D+01  0.394465D+01  0.192460D+00  0.389227D+01  0.168646D+01
                 6             7             8             9            10 
      1   0.389227D+01 -0.428922D+01  0.394459D+01  0.299773D+00  0.265125D+02
      2   0.168646D+01  0.394459D+01  0.217989D+01  0.922716D-01 -0.419801D+01
      3  -0.812297D+00  0.299773D+00  0.922716D-01 -0.205215D+01  0.375141D+01
                11            12            13            14            15 
      1  -0.419801D+01  0.375141D+01 -0.990264D+01  0.281343D+01 -0.424532D+01
      2   0.619586D+00 -0.350817D+01  0.281343D+01 -0.435693D+01 -0.293233D+01
      3  -0.350817D+01 -0.699081D+00 -0.424532D+01 -0.293233D+01 -0.325420D+00
                16            17            18            19            20 
      1   0.193964D+02 -0.510145D+01  0.141914D+00 -0.508248D+02 -0.635614D+00
      2  -0.510145D+01 -0.267867D+01 -0.896450D-01 -0.635614D+00 -0.447956D+01
      3   0.141914D+00 -0.896450D-01  0.807959D+00 -0.125437D+01  0.111749D+01
                21            22            23            24            25 
      1  -0.125437D+01  0.656139D+01 -0.104365D+02  0.237268D+01 -0.810087D+01
      2   0.111749D+01 -0.104365D+02 -0.138783D+01 -0.805883D+00  0.204825D+01
      3  -0.185364D-03  0.237268D+01 -0.805883D+00  0.233260D+01  0.474295D+00
                26            27            28            29            30 
      1   0.204825D+01  0.474295D+00  0.674917D+02  0.381388D+01 -0.518410D+00
      2  -0.137065D+01  0.228836D+01  0.381388D+01  0.306284D+01 -0.551266D+00
      3   0.228836D+01  0.472062D+01 -0.518410D+00 -0.551266D+00  0.147627D+01
                31            32            33            34            35 
      1   0.117960D+02  0.706089D+01 -0.211693D+01  0.809372D+01 -0.638122D+00
      2   0.706089D+01  0.305365D+01 -0.181312D+00 -0.638122D+00  0.836272D+00
      3  -0.211693D+01 -0.181312D+00 -0.129266D+01  0.173706D+01 -0.163183D+01
                36            37            38            39            40 
      1   0.173706D+01 -0.589938D+02 -0.324994D+01  0.336571D+01 -0.128512D+02
      2  -0.163183D+01 -0.324994D+01 -0.174573D+01  0.752916D+00 -0.469812D+01
      3  -0.339614D+01  0.336571D+01  0.752916D+00 -0.123249D+01  0.157027D+01
                41            42            43            44            45 
      1  -0.469812D+01  0.157027D+01 -0.115996D+02 -0.667358D+00 -0.381354D+01
      2  -0.230850D+01 -0.794278D+00 -0.667358D+00 -0.155077D+01  0.174741D+01
      3  -0.794278D+00  0.201038D+01 -0.381354D+01  0.174741D+01  0.301815D+01
                46            47            48            49            50 
      1   0.178836D+02  0.908206D+00 -0.277779D+01 -0.621871D+01 -0.897412D+00
      2   0.908206D+00 -0.755929D+00  0.101282D+00 -0.897412D+00 -0.609354D+00
      3  -0.277779D+01  0.101282D+00 -0.513606D+00  0.312333D+01 -0.681922D+00
                51            52            53            54            55 
      1   0.312333D+01 -0.298972D+02  0.865745D+00  0.944988D+01 -0.495469D+01
      2  -0.681922D+00  0.865745D+00  0.922560D-01 -0.933839D+00  0.617556D+00
      3  -0.175960D+01  0.944988D+01 -0.933839D+00 -0.645161D+01  0.248491D+01
                56            57            58            59            60 
      1   0.617556D+00  0.248491D+01  0.924100D+01 -0.191091D+01 -0.298149D+01
      2  -0.329275D+00 -0.455783D+00 -0.191091D+01  0.179758D+01  0.294387D+01
      3  -0.455783D+00 -0.107954D+01 -0.298149D+01  0.294387D+01  0.166442D+01
                61            62            63            64            65 
      1   0.300020D+02 -0.266356D+00 -0.108732D+02 -0.942414D+01  0.256744D+01
      2  -0.266356D+00  0.155174D+01  0.119260D+01  0.256744D+01 -0.626380D-01
      3  -0.108732D+02  0.119260D+01  0.114549D+02 -0.252612D+01  0.406157D+01
                66            67            68            69            70 
      1  -0.252612D+01  0.346716D+01 -0.136938D+01  0.387083D+01 -0.839448D+01
      2   0.406157D+01 -0.136938D+01  0.198552D+01  0.377311D+01  0.434269D+01
      3   0.102621D+01  0.387083D+01  0.377311D+01 -0.899859D+00 -0.108709D+00
                71            72            73            74            75 
      1   0.434269D+01 -0.108709D+00 -0.663128D+01 -0.165108D+01 -0.165333D+01
      2   0.331610D+01 -0.210143D+00 -0.165108D+01  0.196422D+01 -0.496214D+00
      3  -0.210143D+00  0.160071D+01 -0.165333D+01 -0.496214D+00  0.261467D+01
                76            77            78            79            80 
      1  -0.183608D+01  0.272627D+01 -0.658864D+00  0.359027D+00 -0.178352D+00
      2   0.272627D+01  0.519190D+01  0.328923D+01 -0.178352D+00  0.291899D+01
      3  -0.658864D+00  0.328923D+01 -0.851591D+00  0.225331D+01 -0.177225D+01
                81            82            83            84            85 
      1   0.225331D+01  0.857534D+01  0.301321D+01  0.703127D+00  0.598879D+01
      2  -0.177225D+01  0.301321D+01  0.422030D+01  0.316938D+01  0.635502D+01
      3  -0.351369D+01  0.703127D+00  0.316938D+01 -0.284849D+01  0.221365D+01
                86            87            88            89            90 
      1   0.635502D+01  0.221365D+01  0.974142D+01  0.607955D+01 -0.368500D+01
      2  -0.201184D+01 -0.645379D-01  0.607955D+01  0.137198D+00 -0.422416D+00
      3  -0.645379D-01  0.189392D-01 -0.368500D+01 -0.422416D+00  0.786023D+00
                91            92            93            94            95 
      1   0.190473D+01 -0.141793D+01 -0.476424D+01 -0.241918D+01  0.717930D+00
      2  -0.141793D+01 -0.963332D+00 -0.112168D+01  0.717930D+00  0.409908D+01
      3  -0.476424D+01 -0.112168D+01  0.123489D+01 -0.100149D+01  0.370563D+01
                96            97            98            99           100 
      1  -0.100149D+01 -0.738566D+01 -0.921978D+00  0.399474D+01  0.115561D+02
      2   0.370563D+01 -0.921978D+00  0.303095D+01 -0.921901D+00  0.239275D+01
      3  -0.148943D+01  0.399474D+01 -0.921901D+00  0.413180D+01  0.245921D+01
               101           102           103           104           105 
      1   0.239275D+01  0.245921D+01  0.977801D+00  0.153235D+01  0.259577D+00
      2   0.181300D+01  0.617663D+00  0.153235D+01  0.553630D+00  0.146585D+00
      3   0.617663D+00  0.144751D+01  0.259577D+00  0.146585D+00  0.235773D+00
               106           107           108           109           110 
      1   0.408681D+00  0.181251D+00  0.117679D+01 -0.138743D+00  0.447136D+00
      2   0.181251D+00 -0.252005D+00  0.507191D+00  0.447136D+00 -0.871590D+00
      3   0.117679D+01  0.507191D+00  0.107863D+01  0.986614D+00 -0.273625D+00
               111           112           113           114           115 
      1   0.986614D+00  0.100779D+00 -0.116442D+00  0.929799D-01  0.950852D+00
      2  -0.273625D+00 -0.116442D+00  0.425279D+00  0.786763D+00  0.113802D+00
      3  -0.195456D+01  0.929799D-01  0.786763D+00  0.939538D+00  0.110616D+00
               116           117           118           119           120 
      1   0.113802D+00  0.110616D+00 -0.370106D-01 -0.402783D+00 -0.799049D+00
      2   0.170851D+01  0.173345D+01 -0.402783D+00  0.309968D+00 -0.125237D+00
      3   0.173345D+01  0.800555D+01 -0.799049D+00 -0.125237D+00 -0.313150D+00
               121           122           123           124           125 
      1  -0.209490D+01  0.433731D+00 -0.237794D-01 -0.120359D+01  0.654951D-02
      2   0.433731D+00 -0.501860D+00 -0.108169D+01  0.654951D-02 -0.112617D+01
      3  -0.237794D-01 -0.108169D+01 -0.133320D+01  0.132072D+00 -0.788917D+00
               126           127           128           129           130 
      1   0.132072D+00 -0.203531D+01  0.149012D+01  0.521971D-01 -0.446537D+00
      2  -0.788917D+00  0.149012D+01 -0.415658D+01 -0.558296D+00 -0.168449D+01
      3  -0.742278D+01  0.521971D-01 -0.558296D+00 -0.310680D+00 -0.352496D+00
               131           132           133           134           135 
      1  -0.168449D+01 -0.352496D+00  0.101652D+00 -0.749669D+00  0.203249D+00
      2   0.831654D+01  0.656617D+00 -0.749669D+00  0.219397D+01  0.138246D+01
      3   0.656617D+00  0.943424D+00  0.203249D+00  0.138246D+01  0.562082D+00
               136           137           138           139           140 
      1   0.302028D+01  0.161727D+01 -0.187620D+01 -0.399283D+00  0.113395D+01
      2   0.161727D+01  0.168666D+01 -0.150613D+01  0.113395D+01  0.264562D+01
      3  -0.187620D+01 -0.150613D+01  0.229406D+01 -0.107976D+01 -0.163057D+01
               141           142           143           144           145 
      1  -0.107976D+01 -0.521275D+01 -0.280228D+01  0.291421D+01 -0.291527D+01
      2  -0.163057D+01 -0.280228D+01 -0.307678D+01  0.257835D+01  0.420308D+00
      3   0.140556D+01  0.291421D+01  0.257835D+01 -0.442442D+01  0.189767D+01
               146           147           148           149           150 
      1   0.420308D+00  0.189767D+01  0.140324D+01 -0.855745D+00 -0.620374D+00
      2  -0.107356D+01 -0.187674D+00 -0.855745D+00  0.595695D+00  0.257455D+00
      3  -0.187674D+00 -0.243489D+01 -0.620374D+00  0.257455D+00  0.131052D+01
               151           152           153           154           155 
      1   0.156819D+01 -0.523007D+00 -0.190511D+01  0.579263D+01 -0.289649D+01
      2  -0.523007D+00  0.735935D+00 -0.175225D-01 -0.289649D+01  0.296946D+01
      3  -0.190511D+01 -0.175225D-01  0.437655D+01  0.305574D+01 -0.225159D+01
               156           157           158           159           160 
      1   0.305574D+01 -0.142604D+01  0.189697D+01 -0.142803D+01  0.179172D+01
      2  -0.225159D+01  0.189697D+01 -0.287270D+01  0.149506D+01 -0.169892D+01
      3   0.283648D+01 -0.142803D+01  0.149506D+01 -0.125224D+01  0.214734D+01
               161           162           163           164           165 
      1  -0.169892D+01  0.214734D+01 -0.129116D+01 -0.158604D+01 -0.433867D-01
      2   0.143085D+01 -0.189727D+01 -0.158604D+01 -0.255772D+01 -0.600224D+00
      3  -0.189727D+01  0.317781D+01 -0.433867D-01 -0.600224D+00 -0.654124D+00
               166           167           168           169           170 
      1  -0.110726D+01 -0.144105D+01 -0.568357D+00 -0.527570D+00 -0.855993D+00
      2  -0.144105D+01 -0.648780D+01 -0.821411D+00 -0.855993D+00 -0.297414D+01
      3  -0.568357D+00 -0.821411D+00 -0.114281D+01 -0.449371D+00 -0.106358D+01
               171           172           173           174           175 
      1  -0.449371D+00  0.296578D+01  0.763688D+00 -0.132826D+01  0.204385D+01
      2  -0.106358D+01  0.763688D+00  0.715801D+00 -0.103103D+01  0.997270D+00
      3  -0.107152D+01 -0.132826D+01 -0.103103D+01  0.130504D+01 -0.194772D+01
               176           177           178           179           180 
      1   0.997270D+00 -0.194772D+01 -0.146273D+01 -0.115336D+01  0.218912D+01
      2   0.254058D+01 -0.186027D+01 -0.115336D+01 -0.183312D+01  0.153349D+01
      3  -0.186027D+01  0.266576D+01  0.218912D+01  0.153349D+01 -0.411327D+01
               181           182           183           184           185 
      1  -0.214782D+00 -0.783912D+00 -0.203210D+00 -0.140760D+01  0.340807D+00
      2  -0.783912D+00 -0.190957D+01 -0.140574D+01  0.340807D+00 -0.529383D+01
      3  -0.203210D+00 -0.140574D+01 -0.152430D+01 -0.103971D+00 -0.305175D+01
               186           187           188           189           190 
      1  -0.103971D+00 -0.162192D+00 -0.298039D+00  0.149658D+00  0.930419D+01
      2  -0.305175D+01 -0.298039D+00 -0.279920D+01 -0.236731D+01 -0.339982D+01
      3  -0.241993D+01  0.149658D+00 -0.236731D+01 -0.322617D+01  0.117588D+01
               191           192           193           194           195 
      1  -0.339982D+01  0.117588D+01 -0.298351D+01  0.256503D+01 -0.657885D+00
      2   0.201529D+01 -0.716506D+00  0.256503D+01 -0.219023D+01  0.391736D-01
      3  -0.716506D+00  0.121676D+01 -0.657885D+00  0.391736D-01 -0.518756D+00
               196           197           198           199           200 
      1   0.580098D+01 -0.199837D+01  0.134293D+01  0.133357D+01  0.541919D+00
      2  -0.199837D+01  0.109991D+01 -0.619568D+00  0.541919D+00  0.130789D-01
      3   0.134293D+01 -0.619568D+00  0.119444D+01  0.789699D+00 -0.108904D-01
               201           202           203           204           205 
      1   0.789699D+00  0.150332D+01 -0.106894D+01  0.306225D+00  0.209997D+01
      2  -0.108904D-01 -0.106894D+01  0.623754D+00  0.109432D+01  0.632768D+00
      3  -0.566967D-01  0.306225D+00  0.109432D+01  0.116752D+01  0.549714D+00
               206           207           208           209           210 
      1   0.632768D+00  0.549714D+00 -0.145608D+01 -0.618224D+00 -0.121920D+01
      2   0.138953D+01  0.119374D+01 -0.618224D+00 -0.627678D-01 -0.824730D-01
      3   0.119374D+01  0.466822D+01 -0.121920D+01 -0.824730D-01  0.194215D+00
               211           212           213           214           215 
      1  -0.923632D+00  0.245313D+00 -0.729041D+00 -0.189559D+01 -0.547948D+00
      2   0.245313D+00 -0.565668D+00 -0.960234D+00 -0.547948D+00 -0.118973D+01
      3  -0.729041D+00 -0.960234D+00 -0.179591D+01 -0.101369D+01 -0.162605D+01
               216           217           218           219           220 
      1  -0.101369D+01 -0.135562D+01 -0.616762D+00  0.433157D+00 -0.367385D+01
      2  -0.162605D+01 -0.616762D+00  0.599272D+00  0.400786D+00 -0.221642D+01
      3  -0.667506D+01  0.433157D+00  0.400786D+00  0.241806D+00 -0.906312D+00
               221           222           223           224           225 
      1  -0.221642D+01 -0.906312D+00 -0.145369D+01 -0.566008D+00 -0.158296D+01
      2  -0.758853D+01 -0.280216D+01 -0.566008D+00 -0.217758D+01 -0.166890D+01
      3  -0.280216D+01 -0.198030D+01 -0.158296D+01 -0.166890D+01 -0.237769D+01
               226           227           228           229           230 
      1  -0.309856D+01  0.812291D+00 -0.578830D+00  0.258579D+01 -0.131265D+01
      2   0.812291D+00 -0.271758D+00  0.520956D+00 -0.131265D+01  0.158181D+01
      3  -0.578830D+00  0.520956D+00 -0.820101D+00  0.159971D+01 -0.229758D+01
               231           232           233           234           235 
      1   0.159971D+01 -0.395821D+01  0.333117D+00 -0.355491D+01 -0.926533D+01
      2  -0.229758D+01  0.333117D+00 -0.219365D+01  0.175784D+01 -0.251128D+00
      3   0.293646D+01 -0.355491D+01  0.175784D+01 -0.649490D+01  0.236652D+01
               236           237           238           239           240 
      1  -0.251128D+00  0.236652D+01  0.507493D+00 -0.122432D+01  0.120289D+00
      2  -0.101355D+01  0.195845D+00 -0.122432D+01 -0.386712D+00  0.916497D-01
      3   0.195845D+00 -0.163849D+01  0.120289D+00  0.916497D-01  0.243116D+00
               241           242           243 
      1   0.522884D+01  0.418887D+00 -0.228016D+01
      2   0.418887D+00  0.600378D+00  0.239891D-01
      3  -0.228016D+01  0.239891D-01  0.163596D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.562587D+01  0.925575D+01  0.655321D+01  0.882219D+01  0.947376D+01
      2  -0.855804D+01  0.193083D+01  0.770824D+01  0.721178D+01  0.150572D+01
      3  -0.417184D+01 -0.902910D+01  0.168335D+01 -0.272302D+00 -0.622550D+01
                 6             7             8             9            10 
      1  -0.125748D+01  0.631700D+01  0.595045D+01 -0.506723D+01  0.693004D+01
      2  -0.639353D+01  0.316091D+01 -0.620699D+01 -0.404425D+01  0.235730D+02
      3  -0.104303D+02  0.659088D-01 -0.124320D+02 -0.111281D+01  0.127816D+02
                11            12            13            14            15 
      1  -0.566690D+01 -0.501999D+00 -0.977619D+01 -0.539740D+01 -0.557787D+01
      2  -0.956374D+01  0.242876D+01 -0.142809D+02 -0.378285D+01 -0.130551D+01
      3  -0.322414D+01  0.778100D+01  0.629384D+01  0.111478D+02  0.108737D+02
                16            17            18            19            20 
      1   0.585672D+01  0.368833D+01 -0.559372D+00 -0.100154D+01  0.340487D+01
      2   0.698592D+01 -0.650388D+00  0.250640D+01 -0.374452D+02 -0.109223D+01
      3   0.122179D+02  0.110571D+02  0.612891D+00 -0.217809D+02 -0.406340D+01
                21            22            23            24            25 
      1  -0.134339D+01  0.155990D+02  0.433599D+01 -0.189578D+01 -0.594041D+01
      2   0.216337D+01  0.299150D+01 -0.799006D+01  0.398195D+01 -0.183377D+02
      3  -0.219575D+01  0.386177D+01 -0.828937D+01  0.304411D+01 -0.485560D+01
                26            27            28            29            30 
      1   0.510584D+01 -0.385223D+01 -0.484882D+01  0.379589D+00 -0.207582D-01
      2   0.250192D+01  0.241705D+01  0.443842D+02  0.470574D+01 -0.444549D+01
      3   0.923659D+00 -0.854492D+00  0.202096D+02  0.835777D+01 -0.145543D+01
                31            32            33            34            35 
      1  -0.452933D+01 -0.295739D+01 -0.269964D+01  0.254026D+01 -0.121503D+00
      2   0.129016D+02  0.360645D+01 -0.123685D+01 -0.150833D+02 -0.123689D+01
      3   0.375437D+02  0.759390D+01  0.430438D+00 -0.136940D+01 -0.945671D+00
                36            37            38            39            40 
      1   0.332485D+01  0.329606D+01  0.103905D+01 -0.597284D+00  0.726351D+01
      2   0.157009D+01 -0.478339D+02 -0.365485D+01  0.134743D+02 -0.144043D+02
      3  -0.420331D+00 -0.168866D+02 -0.113286D+02  0.157833D+01 -0.101426D+02
                41            42            43            44            45 
      1   0.823046D+00 -0.496489D+01  0.229729D+01 -0.923235D-02  0.806681D+00
      2  -0.242023D+01 -0.122128D+01 -0.148936D+02 -0.384073D+01 -0.691978D+01
      3  -0.576243D+01 -0.874119D+00  0.154620D+00  0.820504D+00  0.921383D+00
                46            47            48            49            50 
      1   0.290787D+00 -0.245484D+01  0.247679D+01  0.746292D+01 -0.373699D+01
      2   0.936275D+01  0.264553D+01 -0.449970D+01 -0.707064D+01  0.163270D+01
      3   0.133699D+01  0.127315D+02 -0.449546D+01  0.239479D+02  0.136309D+01
                51            52            53            54            55 
      1  -0.773764D+01  0.204810D+01 -0.409640D+01  0.230753D+01 -0.148832D+01
      2   0.711625D+01 -0.552306D+02  0.137944D+00  0.309175D+02 -0.111709D+01
      3  -0.148449D+01 -0.663004D+01 -0.103699D+02 -0.103338D+01  0.122444D+00
                56            57            58            59            60 
      1   0.719612D+00 -0.543938D+00 -0.439310D+00  0.269166D+01 -0.149922D+01
      2   0.143271D+01  0.738018D+01  0.101375D+02 -0.867065D+01 -0.855905D+01
      3  -0.736097D+01 -0.256832D+00 -0.621850D+01  0.603498D+01  0.787055D+01
                61            62            63            64            65 
      1  -0.132913D+01  0.916824D+01 -0.393536D+00 -0.536405D+01  0.569046D+01
      2   0.349294D+02 -0.353502D+01 -0.464576D+02 -0.157466D+02  0.162877D+02
      3   0.594648D+01  0.135817D+02  0.226255D+01 -0.222271D+01 -0.425382D+01
                66            67            68            69            70 
      1  -0.479975D+01  0.821847D+01  0.290906D+01 -0.789531D+01 -0.872221D+01
      2   0.216258D+01  0.154009D+02  0.122929D+02  0.204225D+01 -0.121855D+02
      3  -0.113654D+02  0.677734D+01 -0.656446D+01 -0.188264D+02 -0.130042D+02
                71            72            73            74            75 
      1  -0.165756D+01  0.381016D+01 -0.168176D+01  0.595552D+01 -0.483290D+01
      2   0.526934D+01  0.727586D+01  0.800576D+01  0.209502D+01  0.126490D+02
      3  -0.168494D+02  0.113008D+01 -0.166926D+01 -0.133468D+02  0.685379D+00
                76            77            78            79            80 
      1   0.196543D+01  0.107459D+01  0.459618D+01 -0.384239D+01  0.940222D+01
      2   0.368402D+00  0.650731D+01 -0.295916D+01  0.470571D+01 -0.578801D+01
      3  -0.602190D+01 -0.118418D+02 -0.121494D+02  0.191032D+01 -0.111333D+02
                81            82            83            84            85 
      1   0.188635D+01 -0.378783D+01 -0.128624D+02  0.731948D+01 -0.157536D+02
      2  -0.142188D+02  0.916547D+01  0.743772D+01 -0.294512D+01  0.862057D+01
      3   0.917300D+01  0.270860D+01 -0.690934D+01 -0.556046D+01  0.758361D+01
                86            87            88            89            90 
      1   0.677826D+00 -0.353153D+01  0.454292D+01  0.262484D+01 -0.758168D+00
      2   0.488863D+01  0.164732D+01 -0.170133D+01  0.307095D+01 -0.140969D+01
      3   0.157535D+02  0.677321D+01  0.101735D+01  0.129752D+02 -0.860210D+01
                91            92            93            94            95 
      1  -0.318882D+00  0.227417D+01  0.128660D+01 -0.728479D+01 -0.276591D+01
      2   0.197331D+02  0.307141D+01 -0.533929D+01  0.382561D+01 -0.158660D+02
      3  -0.752774D+01 -0.101448D+02 -0.283336D+01  0.165486D+02  0.198657D+02
                96            97            98            99           100 
      1  -0.850077D+01  0.507863D+01 -0.977781D+00  0.376661D+01 -0.855403D+00
      2   0.721956D+01 -0.267411D+02  0.301626D+01 -0.146669D+02 -0.467891D+01
      3   0.210585D+02 -0.460967D+01  0.121923D+02 -0.683003D+01  0.660528D+01
               101           102           103           104           105 
      1   0.190028D+01 -0.175336D+01  0.272077D+00  0.961205D-01 -0.130832D+01
      2  -0.103661D+00  0.520145D+01 -0.672384D+00 -0.805454D+00  0.680254D+00
      3  -0.638860D+01  0.782941D+00 -0.609081D+00  0.331049D-01  0.587713D+00
               106           107           108           109           110 
      1  -0.106480D+01  0.683377D-01 -0.765056D+00 -0.744680D+00 -0.182336D+01
      2   0.135944D+01  0.102976D+01  0.234144D+01  0.408420D+01 -0.117319D+01
      3   0.328402D+00  0.741877D+00 -0.694305D-01 -0.170208D+01  0.214246D+01
               111           112           113           114           115 
      1   0.225302D+01 -0.893217D+00 -0.755417D+00 -0.140377D+01  0.321079D+00
      2  -0.632539D+01 -0.452080D+00  0.283243D+01  0.241016D+01 -0.517788D+01
      3   0.182377D+01  0.217567D+01 -0.793853D+00 -0.178009D+01  0.169588D+01
               116           117           118           119           120 
      1   0.252727D+01 -0.754792D+01  0.101546D+01  0.473398D+00  0.197494D+00
      2   0.437621D+01  0.227543D+02 -0.214755D+01 -0.518442D+00  0.369947D+00
      3  -0.370240D+01 -0.472119D+01  0.376485D+00 -0.118822D+01 -0.462096D+00
               121           122           123           124           125 
      1   0.110681D+01  0.157703D+01  0.422134D+00 -0.193120D+00  0.472132D+01
      2  -0.143854D+01 -0.440480D+00 -0.146180D+01 -0.398581D+01 -0.463466D+00
      3   0.290591D+01  0.379376D+00  0.586204D+00 -0.580766D+00  0.187542D+00
               126           127           128           129           130 
      1   0.372699D+01 -0.795012D+00  0.308317D+01  0.213272D+01  0.144343D+01
      2  -0.687239D+01 -0.798938D+00 -0.737069D+00  0.319032D+00 -0.209348D+01
      3   0.711610D+00 -0.806984D+01  0.920759D+01  0.119283D+01  0.820732D+01
               131           132           133           134           135 
      1  -0.470748D+01 -0.512117D+01  0.109529D-02 -0.269634D+01 -0.243795D+01
      2   0.384685D+00  0.542804D+00 -0.945297D+00  0.186636D+01  0.102086D+01
      3  -0.179144D+02 -0.188176D+01  0.253417D+01 -0.567743D+01 -0.206997D+01
               136           137           138           139           140 
      1   0.364980D+01  0.199353D+01 -0.542937D+01  0.235233D+01  0.207017D+01
      2  -0.690754D+00 -0.176919D+01  0.455309D+01 -0.248848D+01 -0.225449D+01
      3   0.348445D+01 -0.222107D+01 -0.107333D+01 -0.163564D+00 -0.315743D+01
               141           142           143           144           145 
      1  -0.311755D+01 -0.474785D+01 -0.114904D+01  0.953604D+01  0.598645D+01
      2   0.256808D+01 -0.161235D+00  0.287942D+01 -0.620780D+01  0.107421D+02
      3   0.555096D+00 -0.447104D+01  0.140287D+01  0.102396D+01  0.596232D+01
               146           147           148           149           150 
      1  -0.408233D+01 -0.480424D+01 -0.399613D+01  0.286296D+01  0.154754D+01
      2  -0.166935D+01 -0.530757D+01 -0.477083D+01  0.194348D+01  0.275862D+01
      3  -0.637313D+00 -0.349980D+01  0.209341D+00  0.647575D+00  0.104348D+01
               151           152           153           154           155 
      1  -0.512964D+01  0.360034D+01  0.746387D+01  0.185999D+01  0.313599D+00
      2  -0.859053D+01  0.121141D+01  0.881042D+01 -0.208951D+01 -0.116098D+01
      3  -0.357249D+01  0.134806D+01  0.408591D+01 -0.444044D+01 -0.274464D+01
               156           157           158           159           160 
      1   0.326260D+01 -0.667554D-01 -0.114891D+01 -0.205863D+01  0.143270D+01
      2   0.361251D+01  0.206385D+01  0.498456D+00 -0.666322D+00 -0.179776D+01
      3  -0.443418D+00  0.230336D+01  0.270609D+01  0.211291D+00 -0.270160D+01
               161           162           163           164           165 
      1   0.611911D-01  0.389268D+01 -0.241661D+01 -0.459794D+01 -0.337911D+01
      2  -0.746612D+00  0.367492D+01  0.195300D+01  0.145239D+01  0.278068D+00
      3   0.148617D+00 -0.347089D+00  0.782555D+01  0.631406D+01  0.152524D+01
               166           167           168           169           170 
      1  -0.323895D+01 -0.969249D+01 -0.580867D+01 -0.231109D+01 -0.401622D+01
      2   0.997002D+00  0.194488D+01  0.110612D+00 -0.118950D+01  0.899780D-01
      3   0.740759D+01  0.140263D+02  0.248376D+01  0.397948D+01  0.700334D+01
               171           172           173           174           175 
      1  -0.463722D+01 -0.253636D+01 -0.251354D+01  0.252016D+01 -0.271254D+01
      2  -0.277515D+00 -0.149072D+01 -0.241085D+01  0.406153D+01 -0.298495D+01
      3   0.296888D+01 -0.404335D+01 -0.416844D+01  0.471274D+01 -0.335663D+01
               176           177           178           179           180 
      1  -0.740756D+01  0.390262D+01  0.357760D+01  0.635269D+01 -0.559294D+01
      2  -0.543734D+01  0.748252D+01  0.333198D+01  0.405708D+01 -0.114751D+02
      3  -0.109936D+02  0.769457D+01  0.472025D+01  0.815773D+01 -0.691669D+01
               181           182           183           184           185 
      1   0.749485D+00  0.712337D+00 -0.110969D+01  0.333148D-01  0.257057D+01
      2  -0.248300D+01 -0.543467D+01 -0.410168D+01 -0.299625D+01 -0.103959D+02
      3   0.472594D+01  0.619631D+01  0.482439D+01  0.296188D+01  0.170660D+02
               186           187           188           189           190 
      1  -0.218120D+01  0.595539D+00  0.193587D+01 -0.247719D+01  0.490225D+01
      2  -0.834067D+01 -0.175827D+01 -0.840012D+01 -0.102451D+02  0.118383D+02
      3   0.104397D+02  0.256189D+01  0.102181D+02  0.822988D+01  0.535984D+00
               191           192           193           194           195 
      1  -0.273160D+01  0.329131D+01 -0.299379D+01  0.179813D+01 -0.190792D+01
      2  -0.570683D+01  0.830724D+01 -0.492214D+01  0.227613D+01 -0.360478D+01
      3  -0.594108D+01  0.109156D+01 -0.325501D+01  0.540982D+01  0.673890D+00
               196           197           198           199           200 
      1   0.319797D+01 -0.502186D+00  0.243175D+01  0.228213D+00 -0.504373D+00
      2   0.736728D+01 -0.343536D+01  0.628388D+01  0.935469D+00  0.287266D+00
      3   0.233444D+01 -0.267948D+01  0.581023D+00  0.999704D+00  0.973205D-01
               201           202           203           204           205 
      1   0.686816D-01 -0.409282D+01  0.166677D+00 -0.103855D+01  0.425899D+00
      2  -0.587640D+00 -0.161794D+01 -0.219305D+01  0.403782D-02 -0.427513D+01
      3   0.447693D+00  0.460216D+00  0.305067D+00  0.914477D+00  0.229369D+01
               206           207           208           209           210 
      1   0.283951D+01 -0.362207D+01  0.153097D+01  0.636552D-01  0.693289D-02
      2   0.692158D+00 -0.290161D+01  0.128582D+01 -0.363508D+00 -0.766232D+00
      3   0.169224D+01 -0.270971D-01 -0.294106D+01 -0.761335D+00 -0.679907D-01
               211           212           213           214           215 
      1  -0.604739D+01  0.578440D+00  0.231881D+00  0.195615D+01  0.435565D+01
      2   0.171177D+01  0.194546D+01  0.269932D+01 -0.296255D+01  0.250006D+01
      3   0.990885D+01 -0.190606D+00 -0.210517D+01 -0.318261D+01 -0.283882D+01
               216           217           218           219           220 
      1   0.374020D+00 -0.258622D+00 -0.686795D+00 -0.207342D+00  0.234176D+01
      2   0.109270D+02 -0.137996D+01 -0.195598D+01  0.639739D+00 -0.697597D+00
      3  -0.322282D+01  0.631603D+00  0.311695D+01  0.216979D+01 -0.882258D+01
               221           222           223           224           225 
      1   0.597071D+01 -0.126709D-01  0.168674D+00  0.219522D+01  0.157098D+00
      2   0.993071D+01  0.750783D+01  0.407912D+01  0.635995D+01  0.810535D+01
      3  -0.340263D+02 -0.132814D+02 -0.148178D+01 -0.959099D+01 -0.732158D+01
               226           227           228           229           230 
      1  -0.332962D+00  0.603965D+00 -0.931392D+00  0.266260D+01 -0.305143D+01
      2  -0.456140D+00 -0.148982D+01  0.420002D+01 -0.492473D+01  0.886420D+01
      3   0.159193D+01 -0.291792D+01  0.229810D+01 -0.903301D+01  0.724807D+01
               231           232           233           234           235 
      1   0.275266D+01 -0.296103D+01  0.435724D+01 -0.493787D+01  0.161722D+01
      2  -0.121352D+02  0.102203D+02 -0.750339D+01  0.251880D+02 -0.168473D+02
      3  -0.116193D+02  0.509387D+01 -0.952154D+01  0.108767D+02  0.272582D+01
               236           237           238           239           240 
      1   0.611080D-01 -0.111448D+01  0.981390D+00  0.364527D+00 -0.540211D+00
      2  -0.962251D+00  0.114149D+02 -0.415184D+00 -0.797710D+00 -0.887462D+00
      3  -0.615694D+01 -0.468358D+00 -0.305956D+01 -0.989100D+00  0.491363D+00
               241           242           243 
      1  -0.128431D+01  0.894342D+00  0.744737D+00
      2   0.107350D+02 -0.833511D-01 -0.939621D+01
      3  -0.395464D+00  0.328992D+01  0.971126D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.918605D+01  0.753593D+01 -0.655014D+01  0.332929D+01  0.373355D+01
      2  -0.261296D+01 -0.168502D+02 -0.881122D+01 -0.115591D+02 -0.145750D+02
      3  -0.657309D+01  0.931431D+01  0.153614D+02  0.822977D+01  0.108415D+02
      4   0.150027D+02 -0.979050D+01  0.234177D+02 -0.653906D+01  0.812525D+01
      5  -0.184576D+02  0.195199D+02 -0.913586D+01  0.190901D+02  0.338128D+01
      6   0.151299D+02 -0.164320D+02  0.840128D+01 -0.110813D+02 -0.639951D+01
                 6             7             8             9            10 
      1   0.215861D+02 -0.680794D+01  0.215514D+02  0.239495D+01 -0.542091D+01
      2  -0.159601D+02 -0.952057D+01 -0.186818D+02  0.380844D+01  0.138953D+02
      3  -0.562605D+01  0.163285D+02 -0.286961D+01 -0.620338D+01 -0.847436D+01
      4  -0.684905D+01  0.239610D+02 -0.952318D+01  0.265952D+01 -0.190342D+02
      5   0.553525D+01 -0.844227D+01  0.889636D+01 -0.668866D+01  0.130240D+02
      6   0.342557D+01  0.691668D+01  0.197349D+01  0.252784D+01 -0.119231D+02
                11            12            13            14            15 
      1  -0.433485D+01  0.701567D+01 -0.929082D+01 -0.943254D+01 -0.214332D+02
      2   0.323896D+01  0.821953D+00  0.459763D+01  0.135820D+02  0.997200D+01
      3   0.109589D+01 -0.783763D+01  0.469319D+01 -0.414941D+01  0.114612D+02
      4   0.432604D+01 -0.196207D+02  0.953303D+01 -0.247379D+02 -0.923101D+01
      5  -0.170706D+02 -0.700172D+01 -0.191620D+02 -0.179448D+02 -0.269124D+00
      6   0.993288D+01 -0.173269D+01 -0.276194D+01  0.115642D+01 -0.638001D+01
                16            17            18            19            20 
      1   0.314599D+01 -0.202507D+02 -0.754528D+01  0.534457D+02  0.956062D+01
      2   0.100949D+02  0.120810D+02 -0.166834D+01 -0.531470D+02 -0.133754D+02
      3  -0.132409D+02  0.816966D+01  0.921362D+01 -0.298704D+00  0.381475D+01
      4  -0.297977D+02 -0.279941D+01  0.339697D+00  0.177448D+01 -0.128317D+02
      5  -0.819609D+01  0.765881D-01  0.339402D+01  0.492777D+01  0.325171D+01
      6  -0.215652D+01 -0.368180D+01 -0.372323D+00  0.998917D+01 -0.219004D+01
                21            22            23            24            25 
      1   0.192862D+01  0.217452D+02  0.625664D+01  0.559761D+01  0.438648D+01
      2  -0.136855D+01 -0.209130D+02 -0.136109D+02  0.197418D+01 -0.814070D+01
      3  -0.560071D+00 -0.832172D+00  0.735422D+01 -0.757179D+01  0.375422D+01
      4   0.465440D+01 -0.383433D+02 -0.458816D+01 -0.245549D+01  0.127170D+02
      5   0.476183D+01  0.269638D+01  0.248059D+01  0.392411D+01  0.533527D+01
      6   0.219753D+01  0.817383D+01  0.543948D+01  0.171863D+01  0.279997D+01
                26            27            28            29            30 
      1   0.897262D+01  0.171877D+02 -0.128483D+03 -0.694888D+01  0.714681D+01
      2  -0.268028D+01  0.691086D+01  0.951789D+02  0.543139D+01 -0.351931D+01
      3  -0.629235D+01 -0.240985D+02  0.333040D+02  0.151749D+01 -0.362750D+01
      4  -0.700588D+01  0.720353D+01  0.375944D+01 -0.742847D+01  0.111470D+01
      5   0.481893D+01  0.620964D+01 -0.541286D+01  0.128815D+01 -0.111762D+02
      6   0.643349D+00  0.715121D-01 -0.150080D+02 -0.500080D+01  0.153612D+01
                31            32            33            34            35 
      1  -0.307688D+02 -0.235668D+02  0.706538D+01 -0.269993D+02  0.230315D+01
      2   0.256065D+02  0.227491D+02 -0.528279D+01  0.172120D+02 -0.318653D+01
      3   0.516234D+01  0.817643D+00 -0.178259D+01  0.978727D+01  0.883376D+00
      4  -0.405474D+01 -0.693536D+01  0.153080D+01 -0.182762D+01  0.156848D+01
      5   0.704293D-01 -0.312146D+00 -0.220070D+01 -0.201725D-01  0.141223D+01
      6  -0.441332D+01 -0.670448D+01  0.416479D+01 -0.139600D+01  0.207176D+00
                36            37            38            39            40 
      1  -0.322361D+01  0.147408D+03  0.106279D+02 -0.935315D+01  0.293917D+02
      2  -0.240990D+01 -0.106058D+03 -0.666377D+01  0.661069D+01 -0.148589D+02
      3   0.563351D+01 -0.413500D+02 -0.396413D+01  0.274246D+01 -0.145328D+02
      4   0.142961D+01 -0.321276D+01  0.144162D+02 -0.353538D+00  0.313633D+02
      5   0.297647D+01 -0.739621D+01 -0.180733D+01  0.201159D+02 -0.442661D+01
      6  -0.496504D+01  0.163827D+02  0.527648D+01 -0.273403D+01  0.112056D+02
                41            42            43            44            45 
      1   0.191691D+01  0.229740D+01  0.321236D+02  0.890114D+01  0.135698D+02
      2   0.338537D+01  0.341146D+01 -0.201458D+02 -0.319134D+01 -0.104798D+01
      3  -0.530228D+01 -0.570886D+01 -0.119779D+02 -0.570980D+01 -0.125219D+02
      4   0.687601D+01  0.381726D+01 -0.150157D+01  0.197612D+01 -0.648941D+01
      5   0.417420D+01 -0.482170D+01  0.259399D+02 -0.467128D+01 -0.964311D+01
      6   0.108915D+01  0.462424D+01 -0.210880D+01  0.281147D+01 -0.543605D+01
                46            47            48            49            50 
      1  -0.554393D+02 -0.546933D+01 -0.111476D+02  0.458129D+01 -0.275817D+01
      2   0.408693D+02 -0.182921D+01  0.250333D+01 -0.823396D+01  0.650045D+01
      3   0.145700D+02  0.729855D+01  0.864423D+01  0.365267D+01 -0.374228D+01
      4  -0.645288D+01 -0.160722D+02 -0.481316D+01  0.251043D+01  0.149726D+01
      5  -0.218071D+01 -0.202986D+01 -0.156021D+02 -0.231993D+02  0.516964D+01
      6  -0.107922D+02 -0.272183D+01 -0.235015D+00  0.210425D+01 -0.466179D+01
                51            52            53            54            55 
      1  -0.878456D+01  0.525361D+02 -0.394108D+01 -0.172881D+02  0.281625D+02
      2   0.969761D+01 -0.486655D+02 -0.133585D+01  0.217804D+02 -0.162637D+02
      3  -0.913050D+00 -0.387055D+01  0.527693D+01 -0.449228D+01 -0.118987D+02
      4   0.646014D+01 -0.239889D+02  0.777771D+01  0.101426D+02 -0.703525D+01
      5   0.826333D+01 -0.601291D+02  0.499872D+01  0.467925D+02 -0.192295D+02
      6   0.377300D+01  0.133100D+02 -0.586203D+01 -0.697018D+01  0.155778D+01
                56            57            58            59            60 
      1  -0.286205D+01 -0.103304D+02 -0.251456D+02 -0.801037D+00  0.341319D+01
      2   0.276397D+01  0.714762D+01  0.161903D+02  0.109372D+01 -0.346708D+01
      3   0.980881D-01  0.318275D+01  0.895535D+01 -0.292678D+00  0.538953D-01
      4   0.123364D+02  0.472473D+01  0.226757D+02 -0.139683D+02 -0.207162D+02
      5   0.383959D+01  0.203235D+02  0.174055D+02 -0.202417D+02 -0.116808D+02
      6  -0.122351D+01 -0.136077D+01 -0.109220D+02  0.761984D+01  0.134927D+02
                61            62            63            64            65 
      1  -0.792969D+02 -0.368296D+01  0.345944D+01 -0.329541D+02  0.202724D+02
      2   0.614200D+02  0.277695D+01 -0.327381D+02  0.751148D+01 -0.424418D+01
      3   0.178770D+02  0.906008D+00  0.292787D+02  0.254426D+02 -0.160283D+02
      4   0.130325D+02 -0.173456D+02 -0.144142D+02  0.242214D+02 -0.661307D+01
      5   0.692080D+02 -0.852781D+01 -0.781687D+02 -0.149659D+02  0.232152D+02
      6  -0.121771D+02  0.144594D+02  0.890600D+01  0.812856D+01 -0.105680D+02
                66            67            68            69            70 
      1  -0.109440D+02  0.147088D+02  0.440723D+01  0.341894D+02 -0.219206D+02
      2  -0.136418D+01  0.184834D+01 -0.252971D+00 -0.254449D+02  0.695612D+00
      3   0.123081D+02 -0.165572D+02 -0.415426D+01 -0.874444D+01  0.212249D+02
      4   0.280802D+02 -0.132413D+02  0.803088D+01  0.132076D+02  0.351404D+02
      5   0.630191D+01  0.234808D+02  0.186939D+02 -0.129065D+02  0.380672D+01
      6  -0.836355D+01 -0.558669D+01 -0.112167D+02 -0.916329D+01 -0.703316D+01
                71            72            73            74            75 
      1   0.356148D+02  0.262686D+01 -0.518417D+02 -0.157954D+02 -0.132060D+02
      2  -0.254413D+02  0.149085D+01  0.221780D+02  0.866370D+01 -0.334373D+01
      3  -0.101735D+02 -0.411771D+01  0.296637D+02  0.713170D+01  0.165497D+02
      4   0.858148D+01 -0.562882D+01 -0.218657D+02  0.167889D+01 -0.357772D+01
      5  -0.965622D+01  0.790305D+01 -0.164253D+02 -0.407274D+01  0.983613D+01
      6  -0.906949D+01 -0.713322D+00 -0.347187D+01 -0.342273D+01  0.572878D+01
                76            77            78            79            80 
      1  -0.139418D+02  0.110691D+02 -0.318937D+01 -0.312742D+01 -0.224073D+01
      2   0.107232D+02 -0.604823D+01  0.996907D+01 -0.551695D+01  0.750214D+01
      3   0.321859D+01 -0.502084D+01 -0.677969D+01  0.864436D+01 -0.526141D+01
      4   0.110567D+02  0.259306D+02  0.143768D+02  0.107385D+00  0.651415D+01
      5  -0.498005D+01  0.219763D+02 -0.439414D+01  0.125011D+02 -0.608501D+01
      6   0.454592D+01  0.943157D+01  0.155683D+01  0.488987D+01 -0.507493D+00
                81            82            83            84            85 
      1   0.219045D+02 -0.132133D+02 -0.108241D+02 -0.908153D+01 -0.124178D+02
      2  -0.134520D+01  0.200284D+02  0.260523D+02  0.141057D+02  0.240699D+02
      3  -0.205593D+02 -0.681510D+01 -0.152283D+02 -0.502422D+01 -0.116522D+02
      4  -0.289949D+01  0.100066D+02  0.986766D+01  0.115547D+02  0.227869D+02
      5  -0.117928D+02  0.298571D+01  0.122943D+02 -0.155162D+02  0.126922D+02
      6  -0.881537D+01  0.182528D+01  0.135329D+02 -0.129924D+02  0.546746D+01
                86            87            88            89            90 
      1   0.114385D+02  0.100157D+02 -0.298102D+02  0.985146D+01 -0.869014D+01
      2  -0.121430D+02 -0.874272D+01  0.326805D+02 -0.764709D+01  0.465231D+01
      3   0.704462D+00 -0.127302D+01 -0.287030D+01 -0.220437D+01  0.403783D+01
      4   0.884693D+01  0.601545D+01  0.235196D+02  0.139377D+02 -0.103968D+02
      5  -0.855938D+00 -0.103734D+01 -0.206364D+02 -0.589099D+01  0.614192D+01
      6  -0.646593D+01 -0.311950D+01 -0.177515D+02 -0.599967D+01  0.788198D+01
                91            92            93            94            95 
      1  -0.201567D+02  0.775676D+01  0.408264D+02  0.179283D+02  0.107500D+02
      2   0.874954D+01 -0.216744D+01 -0.193864D+02 -0.155931D+02 -0.992698D+01
      3   0.114071D+02 -0.558933D+01 -0.214399D+02 -0.233516D+01 -0.823062D+00
      4   0.135129D+02  0.125584D+02  0.117472D+02 -0.754804D+01 -0.302349D+02
      5   0.461321D+02  0.107907D+02 -0.322005D+01  0.129518D+02 -0.281291D+02
      6   0.650560D+01  0.438551D+01  0.260834D+01 -0.402740D+01 -0.102652D+02
                96            97            98            99           100 
      1   0.104433D+02  0.544633D+02  0.896018D+01 -0.223586D+02  0.869533D+02
      2  -0.164579D+02 -0.254180D+02 -0.121770D+02  0.161845D+02 -0.432181D+02
      3   0.601457D+01 -0.290453D+02  0.321681D+01  0.617408D+01 -0.437352D+02
      4  -0.299920D+02  0.118170D+02 -0.225477D+02  0.105555D+02  0.339014D+02
      5   0.176593D+02 -0.278547D+02  0.108720D+02 -0.304077D+02  0.269644D+02
      6  -0.946366D+01  0.359393D+01 -0.574048D+01  0.612431D+01  0.734588D+01
               101           102           103           104           105 
      1   0.146570D+02  0.139868D+02  0.631044D+01  0.754539D+01  0.980861D+00
      2  -0.448946D+01 -0.863058D+01 -0.282375D+00  0.223375D+00 -0.103210D+01
      3  -0.101676D+02 -0.535623D+01 -0.602807D+01 -0.776877D+01  0.512381D-01
      4   0.186631D+02  0.759388D+01  0.158584D+02  0.682127D+01  0.223866D+01
      5   0.647189D+01  0.148910D+02  0.307059D+01  0.174412D+01  0.183084D+01
      6   0.427566D+01  0.403587D+01  0.303476D+01  0.598335D+00  0.220989D+01
               106           107           108           109           110 
      1   0.290946D+01  0.911357D+00  0.563319D+01  0.122135D+01  0.467397D+01
      2  -0.320686D+01 -0.218328D+01 -0.559942D+01 -0.304626D+01 -0.279441D+01
      3   0.297396D+00  0.127192D+01 -0.337679D-01  0.182491D+01 -0.187957D+01
      4   0.222065D+01 -0.812678D+00  0.468418D+01  0.218963D+01 -0.189479D+01
      5   0.121066D+02  0.362310D+01  0.730082D+01  0.349576D+01  0.198197D+00
      6   0.316483D+01  0.188531D+01  0.311330D+01  0.301159D+01 -0.262405D+01
               111           112           113           114           115 
      1   0.105471D+02  0.183465D+01 -0.672832D+01 -0.326146D+01  0.742342D+01
      2   0.259645D+00 -0.131868D+01  0.227739D+01  0.131027D+01 -0.434819D+01
      3  -0.108068D+02 -0.515962D+00  0.445094D+01  0.195119D+01 -0.307523D+01
      4   0.127941D+01  0.130090D+01  0.830169D+00  0.308596D+01  0.341975D+01
      5  -0.348268D+01  0.132202D+01  0.192232D+01  0.371946D+01  0.585066D+01
      6  -0.473297D+01 -0.687503D+00  0.419136D+01  0.923134D+01  0.119395D+01
               116           117           118           119           120 
      1  -0.580535D+01 -0.237835D+02 -0.367512D+00  0.177391D-01 -0.235336D+01
      2   0.570454D+00 -0.123539D+02 -0.383596D+01 -0.251296D+00 -0.600883D+00
      3   0.523489D+01  0.361374D+02  0.420348D+01  0.233557D+00  0.295424D+01
      4   0.748314D+01  0.703742D+01 -0.113739D+01  0.258389D+01 -0.170551D-01
      5   0.797839D+01  0.332110D+02  0.343328D-01  0.980413D+00  0.642191D+01
      6   0.937073D+01  0.197135D+02  0.576792D+00  0.347405D+00 -0.296150D+00
               121           122           123           124           125 
      1   0.104795D+01 -0.637971D+01 -0.403126D+01 -0.188483D+01 -0.131624D+01
      2  -0.741757D+00  0.213236D+01 -0.202542D+01  0.121064D+01 -0.220914D+01
      3  -0.306192D+00  0.424735D+01  0.605667D+01  0.674193D+00  0.352538D+01
      4   0.159435D+01 -0.187298D+01 -0.162219D+01 -0.378177D+00 -0.237152D+01
      5   0.134050D+01 -0.193935D+01 -0.244986D+01  0.557296D+01 -0.178881D+01
      6   0.234708D+00  0.100190D+01  0.625563D+01 -0.746669D+00  0.519907D+01
               126           127           128           129           130 
      1  -0.258362D+02 -0.661087D+01  0.191210D+02  0.251946D+01  0.106329D+02
      2  -0.130895D+02  0.854578D+01 -0.268258D+02 -0.338471D+01 -0.133224D+02
      3   0.389257D+02 -0.193491D+01  0.770479D+01  0.865253D+00  0.268946D+01
      4  -0.354612D+01 -0.417569D+01  0.171724D+01 -0.527764D+00  0.552681D+01
      5  -0.118005D+02  0.487444D+00 -0.114202D+01  0.134699D+01 -0.995672D+00
      6  -0.112109D+01  0.147314D+01 -0.292106D+01 -0.220791D+01 -0.114515D+01
               131           132           133           134           135 
      1  -0.359882D+02 -0.357457D+01  0.496777D+01 -0.961318D+01 -0.543063D+01
      2   0.551012D+02  0.513569D+01 -0.488203D+01  0.132165D+02  0.652281D+01
      3  -0.191129D+02 -0.156112D+01 -0.857381D-01 -0.360337D+01 -0.109217D+01
      4   0.993684D+01 -0.359034D-01  0.381189D+00  0.243192D+01  0.255322D+01
      5   0.986689D+00  0.251545D+01  0.328465D+01  0.318902D+01  0.873677D+00
      6   0.483472D+01  0.765272D+01  0.689302D+00  0.102644D+02  0.361797D+01
               136           137           138           139           140 
      1   0.114078D+02  0.164150D+01 -0.241911D+01  0.349438D+01 -0.622791D+01
      2  -0.392559D+01  0.281473D+01 -0.674980D+00  0.180152D+00  0.118277D+02
      3  -0.748217D+01 -0.445623D+01  0.309409D+01 -0.367453D+01 -0.559975D+01
      4   0.179252D+02  0.150439D+02 -0.119292D+02  0.115519D+02  0.139848D+02
      5  -0.160413D+02 -0.100210D+02  0.162842D+02 -0.678511D+01 -0.971848D+01
      6  -0.102362D+02 -0.915731D+01  0.109887D+02 -0.742999D+01 -0.110084D+02
               141           142           143           144           145 
      1   0.253479D+01  0.157535D+01  0.685640D+01 -0.589858D+01 -0.710275D+01
      2  -0.467543D+01 -0.411617D+01 -0.892623D+01  0.370142D+00 -0.318861D+01
      3   0.214065D+01  0.254083D+01  0.206983D+01  0.552844D+01  0.102914D+02
      4  -0.102016D+02 -0.191133D+02 -0.172850D+02  0.162756D+02  0.634944D+01
      5   0.827123D+01  0.194725D+02  0.141980D+02 -0.237276D+02 -0.233300D+01
      6   0.102642D+02  0.156012D+02  0.171538D+02 -0.226441D+02 -0.357505D+01
               146           147           148           149           150 
      1  -0.363510D+01  0.110364D+02  0.870487D+00 -0.208023D+01 -0.576600D+01
      2   0.590843D+01  0.363390D+01  0.328121D+01 -0.250375D+00 -0.141962D+01
      3  -0.227333D+01 -0.146703D+02 -0.415170D+01  0.233061D+01  0.718562D+01
      4  -0.440011D+00 -0.623040D+01 -0.191801D+01  0.278192D+01  0.166621D+01
      5  -0.113167D+01  0.153654D+01 -0.838157D+00 -0.622721D+00  0.255899D+01
      6  -0.204382D+01  0.563530D+01 -0.131699D+01  0.233257D+01  0.909140D+00
               151           152           153           154           155 
      1   0.896898D+01 -0.896438D+00 -0.169464D+02  0.159576D+02 -0.216555D+01
      2   0.360435D+01 -0.189428D+01 -0.780203D+01 -0.775829D+01 -0.286349D+01
      3  -0.125733D+02  0.279072D+01  0.247484D+02 -0.819930D+01  0.502904D+01
      4  -0.773817D+01  0.270633D+01  0.482162D+01 -0.286711D+02  0.226823D+02
      5   0.356644D+01 -0.139688D+01  0.405217D+01  0.255440D+02 -0.150843D+02
      6   0.287387D+01  0.420160D+01 -0.932288D+01 -0.142182D+02  0.138834D+02
               156           157           158           159           160 
      1   0.266243D+01 -0.195299D+01 -0.324135D+01  0.127437D+01  0.427236D+01
      2  -0.364763D+01 -0.179573D+01  0.933867D+01 -0.182620D+01 -0.458578D+01
      3   0.985198D+00  0.374872D+01 -0.609733D+01  0.551836D+00  0.313411D+00
      4  -0.172341D+02  0.162864D+02 -0.174225D+02  0.110597D+02 -0.143887D+02
      5   0.210406D+02 -0.986197D+01  0.986876D+01 -0.843935D+01  0.176541D+02
      6  -0.137616D+02  0.979656D+01 -0.115047D+02  0.101146D+02 -0.108659D+02
               161           162           163           164           165 
      1   0.130959D+01 -0.232157D+01 -0.673118D+01 -0.119478D+02 -0.117656D+00
      2  -0.160282D+00 -0.483724D+01  0.863119D+01  0.176968D+02  0.358709D+01
      3  -0.114931D+01  0.715881D+01 -0.190000D+01 -0.574900D+01 -0.346944D+01
      4   0.112713D+02 -0.133221D+02  0.212370D+01  0.371461D+01 -0.104640D+01
      5  -0.116659D+02  0.189928D+02 -0.703880D+00 -0.432362D+01  0.316583D+00
      6   0.115179D+02 -0.149217D+02 -0.773954D+00  0.924457D-01  0.246108D+01
               166           167           168           169           170 
      1  -0.704798D+01 -0.247939D+02 -0.353873D+01 -0.280279D+01 -0.113264D+02
      2   0.105870D+02  0.409790D+02  0.766663D+01  0.463235D+01  0.173989D+02
      3  -0.353905D+01 -0.161851D+02 -0.412791D+01 -0.182955D+01 -0.607254D+01
      4   0.490152D+01 -0.851899D+01  0.569543D+00  0.429935D+00 -0.392565D+01
      5  -0.424206D+01 -0.489084D+01 -0.390599D+01  0.203634D+00 -0.388270D+01
      6   0.832063D+00 -0.196271D+01  0.621054D+01  0.105238D+01  0.511190D+01
               171           172           173           174           175 
      1  -0.457061D+01  0.179024D+02  0.473098D+01 -0.876875D+01  0.137731D+02
      2   0.607869D+01 -0.124702D+02 -0.526983D+01  0.968743D+01 -0.120968D+02
      3  -0.150808D+01 -0.543229D+01  0.538858D+00 -0.918684D+00 -0.167631D+01
      4  -0.978134D+00  0.280353D+01  0.665708D+01 -0.641130D+01  0.745596D+01
      5  -0.294831D+01 -0.137332D+02 -0.892032D+01  0.136409D+02 -0.165315D+02
      6   0.535263D+01 -0.189065D+01 -0.653565D+00  0.120656D+01 -0.106837D+01
               176           177           178           179           180 
      1   0.409778D+01 -0.938487D+01 -0.900854D+01 -0.637000D+01  0.566475D+01
      2  -0.630481D+01  0.135985D+02  0.125255D+02  0.101235D+02 -0.173664D+02
      3   0.220703D+01 -0.421368D+01 -0.351696D+01 -0.375351D+01  0.117017D+02
      4   0.161147D+02 -0.104107D+02 -0.679636D+01 -0.103517D+02  0.848309D+01
      5  -0.127259D+02  0.197084D+02  0.194719D+02  0.119651D+02 -0.297404D+02
      6  -0.522794D+01  0.414751D+01  0.910470D+00  0.575241D+01 -0.101332D+01
               181           182           183           184           185 
      1  -0.369502D+01 -0.131632D+02 -0.742720D+01 -0.934078D+01 -0.209442D+02
      2   0.325008D+01  0.940605D+01  0.304359D+01  0.395445D+01  0.213817D+02
      3   0.444939D+00  0.375718D+01  0.438361D+01  0.538633D+01 -0.437444D+00
      4  -0.142335D+01 -0.384238D+01 -0.475258D+01  0.721855D+01 -0.245848D+02
      5   0.214253D+01 -0.381350D+01 -0.406764D+01  0.237384D+01 -0.138888D+02
      6   0.219721D+01  0.773576D+01  0.688348D+01 -0.320055D+00  0.211839D+02
               186           187           188           189           190 
      1  -0.152736D+02 -0.306362D+01 -0.157570D+02 -0.140191D+02  0.728677D+02
      2   0.956727D+01  0.233931D+01  0.912173D+01  0.273882D+01 -0.284758D+02
      3   0.570633D+01  0.724310D+00  0.663530D+01  0.112802D+02 -0.443918D+02
      4  -0.140956D+02 -0.101730D+00 -0.131039D+02 -0.100742D+02 -0.405555D+02
      5  -0.112351D+02  0.416307D+01 -0.100323D+02 -0.154842D+02  0.214880D+01
      6   0.165634D+02  0.565436D+00  0.159327D+02  0.157636D+02 -0.136121D+01
               191           192           193           194           195 
      1  -0.211906D+02  0.102093D+02 -0.202275D+02  0.108197D+02 -0.531986D+01
      2   0.385781D+01 -0.201954D+01  0.221798D+01  0.103610D+01  0.146876D+01
      3   0.173327D+02 -0.818971D+01  0.180095D+02 -0.118558D+02  0.385111D+01
      4   0.226012D+02 -0.711224D+01  0.262571D+02 -0.196985D+02  0.261905D+01
      5  -0.257512D+01  0.107500D+02 -0.205828D+01 -0.237183D+00 -0.327520D+01
      6   0.276417D+00 -0.288282D+01 -0.223398D+00  0.114417D+01  0.390901D+01
               196           197           198           199           200 
      1   0.282489D+02 -0.101481D+02  0.905825D+01 -0.103840D+00 -0.889790D+00
      2  -0.877844D+01  0.196285D+01 -0.356127D+01  0.131035D+01  0.618713D+00
      3  -0.194704D+02  0.818523D+01 -0.549697D+01 -0.120651D+01  0.271077D+00
      4  -0.200183D+02  0.112659D+02 -0.624171D+01  0.363095D+00  0.125780D+01
      5   0.101349D+02 -0.368313D+01  0.919348D+01 -0.604969D+00  0.472628D+00
      6  -0.313041D+01  0.330597D+01 -0.374891D+01  0.112349D+01 -0.269529D-01
               201           202           203           204           205 
      1  -0.108178D+01 -0.265257D+01 -0.114377D+01 -0.443752D+01 -0.651901D+01
      2   0.862222D+00 -0.158497D+01  0.589389D+00  0.253316D+01  0.313387D+01
      3   0.219561D+00  0.423754D+01  0.554384D+00  0.190436D+01  0.338513D+01
      4   0.861203D+00  0.282242D+00 -0.125045D+01 -0.190193D+01  0.829518D+00
      5   0.147829D+01  0.333509D+00 -0.106881D+01 -0.611289D+00  0.846651D+00
      6   0.951521D-01 -0.901736D+00  0.338151D+01  0.340146D+01  0.115081D+01
               206           207           208           209           210 
      1  -0.587802D+01 -0.127170D+02  0.221337D+01  0.223651D+01  0.564072D+01
      2   0.397089D+01  0.208109D+01 -0.337015D+01 -0.125146D+01 -0.216623D+01
      3   0.190713D+01  0.106359D+02  0.115678D+01 -0.985045D+00 -0.347449D+01
      4  -0.126342D+01 -0.253140D+01  0.263106D+01  0.118567D+01  0.156549D+01
      5  -0.167841D+01 -0.446117D+01  0.530409D+01  0.172889D+01  0.456992D+01
      6   0.473264D+01  0.702680D+01  0.167433D+01 -0.210647D+00  0.445318D+00
               211           212           213           214           215 
      1   0.237756D+01 -0.429517D+01 -0.391547D+01  0.167538D+01 -0.436603D+01
      2  -0.402201D+01  0.522416D+00 -0.166617D+01 -0.375650D+01 -0.589574D+00
      3   0.164444D+01  0.377275D+01  0.558164D+01  0.208112D+01  0.495561D+01
      4  -0.247197D+01  0.133996D+01  0.237404D+01  0.324137D+01  0.357409D+01
      5   0.464967D+01  0.314257D+01  0.647801D+01  0.796117D+01  0.535051D+01
      6  -0.132467D+01  0.276924D+01  0.453539D+01  0.231742D+01  0.605509D+01
               216           217           218           219           220 
      1  -0.198109D+02  0.466909D+01  0.856844D+01 -0.131752D+00  0.213902D+02
      2  -0.842597D+01 -0.118224D+01 -0.568319D+01 -0.878420D-01 -0.595520D+01
      3   0.282369D+02 -0.348685D+01 -0.288524D+01  0.219594D+00 -0.154350D+02
      4   0.408333D+01  0.371167D+01  0.214050D+00 -0.145786D+01  0.234095D+02
      5   0.218881D+02 -0.235644D+01 -0.784734D+00  0.263359D+00  0.983586D+01
      6   0.603965D+01  0.223454D+01 -0.131808D+01 -0.152589D+01  0.553366D+01
               221           222           223           224           225 
      1  -0.815110D+01 -0.309329D+01  0.782119D+01 -0.341347D+01  0.198173D+01
      2   0.212555D+02  0.492112D+01 -0.452525D+01  0.294761D+01 -0.188455D+01
      3  -0.131044D+02 -0.182783D+01 -0.329594D+01  0.465860D+00 -0.971786D-01
      4   0.596086D+02  0.224851D+02  0.496042D+01  0.171946D+02  0.124448D+02
      5   0.211079D+02  0.151250D+02  0.150069D+02  0.126644D+02  0.187919D+02
      6   0.179354D+02  0.116295D+02  0.261170D+01  0.103684D+02  0.676555D+01
               226           227           228           229           230 
      1   0.183279D+02 -0.668446D+01  0.696876D+01 -0.196778D+02  0.244468D+01
      2  -0.127060D+02  0.416188D+01 -0.549493D+01  0.130249D+02 -0.230951D+01
      3  -0.562182D+01  0.252258D+01 -0.147383D+01  0.665288D+01 -0.135175D+00
      4  -0.754637D+01  0.423458D+01 -0.550580D+01  0.144908D+02 -0.145058D+02
      5   0.924749D+01 -0.623250D+01  0.118222D+02 -0.174866D+02  0.194596D+02
      6  -0.291346D+01  0.600785D+00 -0.945033D+00  0.511286D+01 -0.615167D+01
               231           232           233           234           235 
      1  -0.590390D+01  0.244849D+02  0.341318D+00  0.109878D+02  0.974429D+02
      2   0.998799D+01 -0.192414D+02  0.522470D+01 -0.225754D+02 -0.464120D+02
      3  -0.408408D+01 -0.524349D+01 -0.556602D+01  0.115876D+02 -0.510309D+02
      4   0.205667D+02 -0.497375D+01  0.187334D+02 -0.166790D+02  0.649729D+01
      5  -0.259962D+02  0.358724D+02 -0.153283D+02  0.564563D+02 -0.199987D+02
      6   0.919382D+01 -0.303588D+01  0.733621D+01 -0.714787D+01 -0.299212D+01
               236           237           238           239           240 
      1   0.206148D+01 -0.241111D+02 -0.472744D+01  0.922247D+01 -0.597314D+00
      2   0.168812D+00  0.105050D+02  0.354763D+01 -0.289275D+01  0.100036D+01
      3  -0.223029D+01  0.136061D+02  0.117981D+01 -0.632972D+01 -0.403045D+00
      4   0.124198D+02 -0.284342D+01  0.143402D+02  0.325679D+01 -0.196276D+01
      5  -0.188196D+01  0.167133D+02 -0.745797D+00 -0.153207D+01 -0.236601D+01
      6   0.174738D+00  0.154734D+01 -0.232419D+00  0.619732D+00  0.235515D+01
               241           242           243 
      1  -0.494946D+02 -0.267459D+01  0.204963D+02
      2   0.235666D+02  0.129970D+01 -0.113886D+02
      3   0.259280D+02  0.137489D+01 -0.910763D+01
      4  -0.515340D+01 -0.668060D+01  0.487545D+00
      5   0.236033D+02 -0.920737D-01 -0.167160D+02
      6   0.242366D+01  0.182360D+01 -0.255227D+01
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Thu Aug 12 21:16:03 2021, MaxMem=  5368709120 cpu:           15551.3 elap:            1946.9
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -19.12352 -10.27296 -10.20706 -10.20509 -10.19824
 Alpha  occ. eigenvalues --  -10.19110 -10.19023 -10.18908 -10.18466 -10.18208
 Alpha  occ. eigenvalues --  -10.17706  -1.02752  -0.86747  -0.79246  -0.74922
 Alpha  occ. eigenvalues --   -0.73809  -0.68940  -0.67449  -0.61525  -0.59407
 Alpha  occ. eigenvalues --   -0.53815  -0.52063  -0.48460  -0.47996  -0.46382
 Alpha  occ. eigenvalues --   -0.45256  -0.44535  -0.43997  -0.42353  -0.41271
 Alpha  occ. eigenvalues --   -0.39950  -0.39640  -0.38977  -0.37158  -0.36852
 Alpha  occ. eigenvalues --   -0.36334  -0.35220  -0.32564  -0.31443  -0.30624
 Alpha  occ. eigenvalues --   -0.26667  -0.25336
 Alpha virt. eigenvalues --   -0.06151   0.01141   0.02370   0.03179   0.03657
 Alpha virt. eigenvalues --    0.04400   0.05368   0.05942   0.06661   0.07415
 Alpha virt. eigenvalues --    0.07773   0.08239   0.08923   0.09393   0.10448
 Alpha virt. eigenvalues --    0.10818   0.10901   0.11705   0.12299   0.12855
 Alpha virt. eigenvalues --    0.13126   0.14002   0.14386   0.15212   0.15411
 Alpha virt. eigenvalues --    0.15621   0.16276   0.17059   0.17842   0.18372
 Alpha virt. eigenvalues --    0.19469   0.20285   0.20788   0.21140   0.21502
 Alpha virt. eigenvalues --    0.21897   0.22636   0.22911   0.23721   0.24451
 Alpha virt. eigenvalues --    0.25142   0.25619   0.27156   0.28381   0.28764
 Alpha virt. eigenvalues --    0.29124   0.29418   0.29978   0.30489   0.30864
 Alpha virt. eigenvalues --    0.31147   0.31765   0.32259   0.32766   0.32952
 Alpha virt. eigenvalues --    0.33262   0.33362   0.33947   0.34362   0.34644
 Alpha virt. eigenvalues --    0.35065   0.35356   0.35453   0.35769   0.36558
 Alpha virt. eigenvalues --    0.36791   0.37046   0.37889   0.38024   0.38579
 Alpha virt. eigenvalues --    0.38708   0.39183   0.39406   0.40030   0.40824
 Alpha virt. eigenvalues --    0.41253   0.41772   0.42011   0.42508   0.42649
 Alpha virt. eigenvalues --    0.43301   0.43519   0.44254   0.45108   0.45283
 Alpha virt. eigenvalues --    0.45990   0.46511   0.47097   0.47437   0.47651
 Alpha virt. eigenvalues --    0.48534   0.48852   0.48951   0.49296   0.49788
 Alpha virt. eigenvalues --    0.50750   0.51161   0.51481   0.51906   0.52289
 Alpha virt. eigenvalues --    0.52556   0.53117   0.53450   0.54148   0.54681
 Alpha virt. eigenvalues --    0.55201   0.56002   0.56176   0.56582   0.57185
 Alpha virt. eigenvalues --    0.57663   0.58822   0.59371   0.59583   0.60357
 Alpha virt. eigenvalues --    0.60828   0.61906   0.62128   0.62697   0.63034
 Alpha virt. eigenvalues --    0.63782   0.64453   0.64739   0.65745   0.65970
 Alpha virt. eigenvalues --    0.66947   0.67657   0.68381   0.69387   0.70279
 Alpha virt. eigenvalues --    0.71130   0.71334   0.72400   0.73679   0.74587
 Alpha virt. eigenvalues --    0.76263   0.77012   0.78318   0.78382   0.79644
 Alpha virt. eigenvalues --    0.80514   0.81612   0.82041   0.83144   0.85900
 Alpha virt. eigenvalues --    0.88257   0.88846   0.91264   0.92047   0.93864
 Alpha virt. eigenvalues --    0.94472   0.94727   0.95094   0.96280   0.97338
 Alpha virt. eigenvalues --    0.97633   0.99200   0.99750   1.00235   1.00505
 Alpha virt. eigenvalues --    1.01029   1.01383   1.03513   1.04226   1.04835
 Alpha virt. eigenvalues --    1.05387   1.05981   1.07757   1.08911   1.09705
 Alpha virt. eigenvalues --    1.11912   1.13067   1.15101   1.16588   1.17570
 Alpha virt. eigenvalues --    1.18842   1.19747   1.21998   1.23738   1.25669
 Alpha virt. eigenvalues --    1.27038   1.28190   1.29493   1.30931   1.31483
 Alpha virt. eigenvalues --    1.32626   1.34170   1.35203   1.35912   1.36901
 Alpha virt. eigenvalues --    1.39008   1.39551   1.42924   1.43988   1.44556
 Alpha virt. eigenvalues --    1.46473   1.47733   1.49191   1.51426   1.53343
 Alpha virt. eigenvalues --    1.56104   1.56957   1.58886   1.59626   1.60047
 Alpha virt. eigenvalues --    1.62678   1.63495   1.66286   1.66587   1.67241
 Alpha virt. eigenvalues --    1.68969   1.70684   1.72703   1.74450   1.75850
 Alpha virt. eigenvalues --    1.76965   1.77477   1.77687   1.80337   1.81499
 Alpha virt. eigenvalues --    1.83557   1.84949   1.85433   1.86419   1.87838
 Alpha virt. eigenvalues --    1.90555   1.90609   1.91741   1.94873   1.97319
 Alpha virt. eigenvalues --    1.97748   1.98122   1.99866   2.00645   2.01526
 Alpha virt. eigenvalues --    2.03268   2.03750   2.04743   2.05553   2.07047
 Alpha virt. eigenvalues --    2.08488   2.09707   2.11585   2.12683   2.13633
 Alpha virt. eigenvalues --    2.14261   2.14487   2.17693   2.19162   2.20877
 Alpha virt. eigenvalues --    2.21500   2.22680   2.23481   2.24316   2.26441
 Alpha virt. eigenvalues --    2.28370   2.29701   2.30469   2.32862   2.36296
 Alpha virt. eigenvalues --    2.37227   2.38774   2.41013   2.42210   2.43617
 Alpha virt. eigenvalues --    2.46734   2.47557   2.50463   2.51667   2.53631
 Alpha virt. eigenvalues --    2.53923   2.54991   2.56126   2.59145   2.59734
 Alpha virt. eigenvalues --    2.63812   2.64297   2.66667   2.67210   2.70307
 Alpha virt. eigenvalues --    2.72160   2.74950   2.76112   2.82690   2.83943
 Alpha virt. eigenvalues --    2.86856   2.89657   2.92936   2.95944   2.97929
 Alpha virt. eigenvalues --    2.98870   2.99937   3.02908   3.04651   3.04777
 Alpha virt. eigenvalues --    3.07878   3.08773   3.11220   3.13796   3.14492
 Alpha virt. eigenvalues --    3.17083   3.18019   3.19929   3.20904   3.22146
 Alpha virt. eigenvalues --    3.28504   3.34170   3.54095   3.82261
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C    6.103188  -1.618843  -0.081455  -0.053289  -0.031432   0.006488
     2  C   -1.618843  13.214142  -0.791627  -0.232396   0.261169   0.000395
     3  C   -0.081455  -0.791627   7.472561  -0.050964  -0.596177   0.141081
     4  C   -0.053289  -0.232396  -0.050964   7.772862  -0.678465   0.003292
     5  C   -0.031432   0.261169  -0.596177  -0.678465   9.905901  -0.577837
     6  C    0.006488   0.000395   0.141081   0.003292  -0.577837   6.035870
     7  O    0.001474  -0.005907   0.016182  -0.107946  -0.096615   0.276275
     8  C   -0.277783  -0.500474   0.081590   0.034549  -0.002824  -0.000305
     9  C   -0.027419  -0.601829   0.290842   0.129878  -0.018196   0.000354
    10  C    0.028518   0.620007  -0.282852  -0.150922   0.103510  -0.000475
    11  C    0.000205  -0.000721   0.000922   0.071480  -0.128977   0.443262
    12  H    0.162957  -0.354309   0.009775   0.028823  -0.001077  -0.000168
    13  H   -0.141058   0.110951   0.158972   0.005344  -0.004077   0.000464
    14  H    0.218564  -0.928276  -0.654640  -0.615441  -0.413743   0.035153
    15  H    0.001058  -0.090107  -0.095149  -0.137214   0.012587   0.000061
    16  H   -0.014943   0.142139   0.100030   0.057150   0.002501   0.000252
    17  H    0.407938  -0.102093  -0.112740   0.022510   0.029737  -0.000038
    18  H   -0.240188   0.423652   0.014850  -0.002368   0.001707  -0.000089
    19  H   -0.063005   0.231870   0.030561   0.000697  -0.016777  -0.002095
    20  H   -0.006588   0.395384  -0.028927  -0.007389   0.002354  -0.000003
    21  H    0.027044   0.133706  -0.014156   0.005614  -0.000077  -0.000068
    22  H    0.048612   0.212716   0.026223   0.001514  -0.000476  -0.000008
    23  H    0.022113  -0.226407   0.115224  -0.288164  -1.377529   0.020206
    24  H   -0.014087  -0.000278  -0.161813  -0.085966   0.289766  -0.614363
    25  H    0.000150  -0.000272   0.003536  -0.001833  -0.023116   0.136272
    26  H    0.000008  -0.000044   0.002956   0.001085  -0.032078   0.144325
    27  H   -0.000033   0.000004  -0.000805  -0.004874   0.093740   0.130334
               7          8          9         10         11         12
     1  C    0.001474  -0.277783  -0.027419   0.028518   0.000205   0.162957
     2  C   -0.005907  -0.500474  -0.601829   0.620007  -0.000721  -0.354309
     3  C    0.016182   0.081590   0.290842  -0.282852   0.000922   0.009775
     4  C   -0.107946   0.034549   0.129878  -0.150922   0.071480   0.028823
     5  C   -0.096615  -0.002824  -0.018196   0.103510  -0.128977  -0.001077
     6  C    0.276275  -0.000305   0.000354  -0.000475   0.443262  -0.000168
     7  O    8.240507   0.000029  -0.000042   0.000249  -0.035809   0.000052
     8  C    0.000029   5.066069  -0.016053  -0.047392   0.000015  -0.138059
     9  C   -0.000042  -0.016053   5.235683  -0.205692   0.000017   0.113574
    10  C    0.000249  -0.047392  -0.205692   5.066472  -0.000235   0.016842
    11  C   -0.035809   0.000015   0.000017  -0.000235   4.257891   0.000002
    12  H    0.000052  -0.138059   0.113574   0.016842   0.000002   2.303230
    13  H    0.000153   0.077929  -0.021978  -0.073813  -0.000004  -0.623182
    14  H    0.000320  -0.117607   0.156949  -0.252975   0.001832   0.031459
    15  H    0.001254  -0.015449   0.056059   0.157059   0.000031   0.151234
    16  H   -0.000094   0.029405  -0.063503  -0.000113  -0.000023  -0.222770
    17  H   -0.002048   0.010975  -0.045802   0.033754  -0.000031   0.009589
    18  H    0.000079   0.025138   0.038545  -0.013829  -0.000007  -0.002431
    19  H    0.000109   0.012380   0.000780  -0.008735   0.000075  -0.000036
    20  H    0.000010   0.210225  -0.055611  -0.007032  -0.000001  -0.038551
    21  H   -0.000002  -0.032360   0.007019   0.010929   0.000008   0.005417
    22  H   -0.000013  -0.183807   0.000713   0.001561   0.000000   0.055529
    23  H    0.056377   0.010197  -0.019539  -0.120451   0.009323   0.009286
    24  H    0.067923   0.002380  -0.000382   0.001407  -0.087376  -0.000001
    25  H   -0.002166  -0.000000   0.000008  -0.000011   0.210593   0.000000
    26  H   -0.005058   0.000002   0.000003  -0.000015   0.214717   0.000000
    27  H    0.017410   0.000000  -0.000000   0.000005   0.169335  -0.000000
              13         14         15         16         17         18
     1  C   -0.141058   0.218564   0.001058  -0.014943   0.407938  -0.240188
     2  C    0.110951  -0.928276  -0.090107   0.142139  -0.102093   0.423652
     3  C    0.158972  -0.654640  -0.095149   0.100030  -0.112740   0.014850
     4  C    0.005344  -0.615441  -0.137214   0.057150   0.022510  -0.002368
     5  C   -0.004077  -0.413743   0.012587   0.002501   0.029737   0.001707
     6  C    0.000464   0.035153   0.000061   0.000252  -0.000038  -0.000089
     7  O    0.000153   0.000320   0.001254  -0.000094  -0.002048   0.000079
     8  C    0.077929  -0.117607  -0.015449   0.029405   0.010975   0.025138
     9  C   -0.021978   0.156949   0.056059  -0.063503  -0.045802   0.038545
    10  C   -0.073813  -0.252975   0.157059  -0.000113   0.033754  -0.013829
    11  C   -0.000004   0.001832   0.000031  -0.000023  -0.000031  -0.000007
    12  H   -0.623182   0.031459   0.151234  -0.222770   0.009589  -0.002431
    13  H    1.593549  -0.037034  -0.215476   0.121180   0.003764  -0.010427
    14  H   -0.037034   4.182422   0.191852  -0.212803   0.005705  -0.004289
    15  H   -0.215476   0.191852   2.133192  -0.535063   0.001741   0.000468
    16  H    0.121180  -0.212803  -0.535063   1.550533  -0.000783  -0.000216
    17  H    0.003764   0.005705   0.001741  -0.000783   1.117573  -0.168504
    18  H   -0.010427  -0.004289   0.000468  -0.000216  -0.168504   0.937538
    19  H   -0.002977   0.007902   0.000527  -0.000825  -0.076902  -0.034117
    20  H    0.000610  -0.076111  -0.001218   0.017343  -0.004441   0.000548
    21  H   -0.002758   0.030827   0.002089   0.000444   0.003606  -0.019065
    22  H   -0.007629   0.005247   0.001998  -0.003480   0.009830   0.001467
    23  H   -0.001895   0.175335   0.021465  -0.003882  -0.036749   0.006552
    24  H    0.000596  -0.180357  -0.003336   0.002013  -0.000445   0.000348
    25  H    0.000000   0.000404   0.000002  -0.000001  -0.000010   0.000000
    26  H   -0.000000   0.000677   0.000023  -0.000004  -0.000002   0.000000
    27  H    0.000000  -0.000125  -0.000002   0.000000  -0.000000   0.000000
              19         20         21         22         23         24
     1  C   -0.063005  -0.006588   0.027044   0.048612   0.022113  -0.014087
     2  C    0.231870   0.395384   0.133706   0.212716  -0.226407  -0.000278
     3  C    0.030561  -0.028927  -0.014156   0.026223   0.115224  -0.161813
     4  C    0.000697  -0.007389   0.005614   0.001514  -0.288164  -0.085966
     5  C   -0.016777   0.002354  -0.000077  -0.000476  -1.377529   0.289766
     6  C   -0.002095  -0.000003  -0.000068  -0.000008   0.020206  -0.614363
     7  O    0.000109   0.000010  -0.000002  -0.000013   0.056377   0.067923
     8  C    0.012380   0.210225  -0.032360  -0.183807   0.010197   0.002380
     9  C    0.000780  -0.055611   0.007019   0.000713  -0.019539  -0.000382
    10  C   -0.008735  -0.007032   0.010929   0.001561  -0.120451   0.001407
    11  C    0.000075  -0.000001   0.000008   0.000000   0.009323  -0.087376
    12  H   -0.000036  -0.038551   0.005417   0.055529   0.009286  -0.000001
    13  H   -0.002977   0.000610  -0.002758  -0.007629  -0.001895   0.000596
    14  H    0.007902  -0.076111   0.030827   0.005247   0.175335  -0.180357
    15  H    0.000527  -0.001218   0.002089   0.001998   0.021465  -0.003336
    16  H   -0.000825   0.017343   0.000444  -0.003480  -0.003882   0.002013
    17  H   -0.076902  -0.004441   0.003606   0.009830  -0.036749  -0.000445
    18  H   -0.034117   0.000548  -0.019065   0.001467   0.006552   0.000348
    19  H    0.797143  -0.004176   0.014752  -0.013423   0.018140   0.003121
    20  H   -0.004176   0.877519  -0.069017  -0.067340   0.001118   0.000219
    21  H    0.014752  -0.069017   0.803395  -0.042186  -0.001745  -0.000613
    22  H   -0.013423  -0.067340  -0.042186   0.910015  -0.000583  -0.000036
    23  H    0.018140   0.001118  -0.001745  -0.000583   2.537269   0.067801
    24  H    0.003121   0.000219  -0.000613  -0.000036   0.067801   1.609613
    25  H    0.000028  -0.000000  -0.000001  -0.000000   0.001651  -0.044653
    26  H    0.000018   0.000000  -0.000000  -0.000000   0.002382  -0.046868
    27  H    0.000009   0.000000  -0.000000  -0.000000  -0.001023   0.022729
              25         26         27
     1  C    0.000150   0.000008  -0.000033
     2  C   -0.000272  -0.000044   0.000004
     3  C    0.003536   0.002956  -0.000805
     4  C   -0.001833   0.001085  -0.004874
     5  C   -0.023116  -0.032078   0.093740
     6  C    0.136272   0.144325   0.130334
     7  O   -0.002166  -0.005058   0.017410
     8  C   -0.000000   0.000002   0.000000
     9  C    0.000008   0.000003  -0.000000
    10  C   -0.000011  -0.000015   0.000005
    11  C    0.210593   0.214717   0.169335
    12  H    0.000000   0.000000  -0.000000
    13  H    0.000000  -0.000000   0.000000
    14  H    0.000404   0.000677  -0.000125
    15  H    0.000002   0.000023  -0.000002
    16  H   -0.000001  -0.000004   0.000000
    17  H   -0.000010  -0.000002  -0.000000
    18  H    0.000000   0.000000   0.000000
    19  H    0.000028   0.000018   0.000009
    20  H   -0.000000   0.000000   0.000000
    21  H   -0.000001  -0.000000  -0.000000
    22  H   -0.000000  -0.000000  -0.000000
    23  H    0.001651   0.002382  -0.001023
    24  H   -0.044653  -0.046868   0.022729
    25  H    0.635868   0.056973  -0.007868
    26  H    0.056973   0.639343  -0.009139
    27  H   -0.007868  -0.009139   0.760516
 Mulliken charges:
               1
     1  C    1.541804
     2  C   -4.292554
     3  C    0.406004
     4  C    0.282432
     5  C   -0.703497
     6  C   -0.178635
     7  O   -0.422703
     8  C    1.771230
     9  C    1.045620
    10  C    1.124228
    11  C    0.873478
    12  H   -0.517185
    13  H    0.068799
    14  H   -0.551246
    15  H   -0.639685
    16  H    0.035513
    17  H   -0.106131
    18  H    0.044635
    19  H    0.104955
    20  H   -0.138928
    21  H    0.137198
    22  H    0.043557
    23  H    0.003527
    24  H    0.172657
    25  H    0.034445
    26  H    0.030696
    27  H   -0.170213
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C    1.585263
     2  C   -4.292554
     3  C   -0.145242
     4  C    0.285959
     5  C   -0.530840
     6  C   -0.178635
     7  O   -0.422703
     8  C    1.813056
     9  C    0.597234
    10  C    0.520057
    11  C    0.768406
 Electronic spatial extent (au):  <R**2>=           2496.8251
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=              1.8375    Y=             -0.7029    Z=             -2.6147  Tot=              3.2722
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -70.3543   YY=            -69.8437   ZZ=            -71.9388
   XY=              3.1272   XZ=              8.4997   YZ=             -0.4724
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=              0.3580   YY=              0.8686   ZZ=             -1.2266
   XY=              3.1272   XZ=              8.4997   YZ=             -0.4724
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=             -8.1006  YYY=              0.4320  ZZZ=             -2.9796  XYY=             -3.9280
  XXY=             -8.9596  XXZ=            -25.9107  XZZ=              6.6022  YZZ=             -0.4642
  YYZ=              0.5116  XYZ=              1.1389
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=          -2551.4472 YYYY=           -469.6636 ZZZZ=           -379.1612 XXXY=             27.4052
 XXXZ=             74.1559 YYYX=              1.1715 YYYZ=              5.9957 ZZZX=              8.4974
 ZZZY=              0.1531 XXYY=           -511.7819 XXZZ=           -530.0126 YYZZ=           -141.6498
 XXYZ=            -18.8344 YYXZ=             -1.7643 ZZXY=              5.6046
 N-N= 6.092938634668D+02 E-N=-2.296820357636D+03  KE= 4.602568804497D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Thu Aug 12 21:16:04 2021, MaxMem=  5368709120 cpu:               3.2 elap:               0.6
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        = 7.01089548D-01-2.70004810D-01-9.90123062D-01
 Polarizability= 1.61281272D+02 5.03064875D+00 1.04214168D+02
                 3.11105867D+00 3.14748124D+00 1.08318591D+02
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 2     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 3      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 4      0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 5     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 6     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000       -1.2996   -1.2994        2.8316    2.8317
 2      1.2996    1.2994       -1.5797   -1.5802      -33.5194  -33.5193
 3     -2.8316   -2.8317       31.5363   31.5359        1.5806    1.5802
 4      1.5797    1.5802       -0.0000    0.0000       -2.8315   -2.8317
 5      1.9831    1.9834        2.8315    2.8317       -1.2995   -1.2994
 6     -1.5806   -1.5802        1.2995    1.2994       -0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000        3.8981    3.8981        8.4952    8.4952
 2      4.7405    4.7405        0.0000    0.0000        8.4952    8.4952
 3      4.7405    4.7405        3.8981    3.8981        0.0000    0.0000
 4      3.8981    3.8981       -4.7405   -4.7405     -100.5579 -100.5579
 5     -8.4952   -8.4952       94.6076   94.6076        4.7405    4.7405
 6      5.9503    5.9503        8.4952    8.4952       -3.8981   -3.8981
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0462    0.0000        5.4744    5.1975      -11.2592  -11.3269
 2     -5.3480   -5.1975        6.3106    6.3206      134.1356  134.0771
 3     11.3748   11.3269     -126.0751 -126.1435       -6.4096   -6.3206
 4     -6.2132   -6.3206        0.0490    0.0000       11.3324   11.3269
 5     -7.9863   -7.9337      -11.3983  -11.3269        5.0713    5.1975
 6      6.3333    6.3206       -5.1889   -5.1975        0.0499    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0904    0.0000       31.6390   31.7274      -27.2053  -27.0488
 2    -31.9557  -31.7274      -37.0059  -37.1137        3.7617    3.6577
 3     26.8183   27.0488       43.4810   43.4010       37.4129   37.1137
 4     37.1239   37.1137        0.0082    0.0000       27.2539   27.0488
 5    -46.8148  -47.0587      -27.1797  -27.0488       31.7216   31.7274
 6    -37.1842  -37.1137      -31.7003  -31.7274       -0.1289    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     62.2133   62.2260       27.8631   27.8958      -15.2991  -15.1893
 2     90.9629   90.8933       50.4724   50.5121      -15.0840  -15.1893
 3     90.9543   90.8933       27.8968   27.8958      -11.5764  -11.7554
 4    -22.6892  -22.6163      -28.5310  -28.6673       22.5615   22.2560
 5      3.1629    3.4340       35.2552   35.2782       29.1001   28.6673
 6    -57.3406  -57.5342       -3.3362   -3.4340       22.6569   22.6163
 Full mass-weighted force constant matrix:
 Low frequencies ---   -2.0699    0.0006    0.0006    0.0008    6.4673   13.2568
 Low frequencies ---   36.6930   64.8476   73.6485
 Diagonal vibrational polarizability:
       20.6008396      63.2096190       8.5645609
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   18796.99
                      1                      2                      3
                      A                      A                      A
 Frequencies --     36.6879                64.8091                73.6407
 Red. masses --      3.3641                 3.4367                 3.4989
 Frc consts  --      0.0027                 0.0085                 0.0112
 IR Inten    --      3.0385                 1.0106                 1.0091
 RamAct Fr= 1--      1.7923                 0.7202                 0.6142
  Dep-P Fr= 1--      0.7345                 0.7499                 0.5129
  Dep-U Fr= 1--      0.8470                 0.8571                 0.6780
 Alpha2 Fr= 1--      0.0005                 0.0000                 0.0029
 Beta2  Fr= 1--      0.2530                 0.1029                 0.0694
 AlphaG Fr= 1--     -0.0041                 0.0001                 0.0173
 Gamma2 Fr= 1--     -0.1727                 0.0460                 0.6068
 Delta2 Fr= 1--      0.0382                 0.0331                 0.1640
 Raman1 Fr= 1--       7.169                  2.881                  2.457
 ROA1   Fr= 1--     -15.355                  5.476                 63.498
 CID1   Fr= 1--      -2.142                  1.901                 25.845
 Raman2 Fr= 1--       3.036                  1.235                  0.833
 ROA2   Fr= 1--      -4.450                  0.840                 13.250
 CID2   Fr= 1--      -1.466                  0.681                 15.909
 Raman3 Fr= 1--       6.072                  2.469                  1.666
 ROA3   Fr= 1--     -15.355                  5.476                 63.498
 CID3   Fr= 1--      -2.529                  2.218                 38.120
 RC180  Fr= 1--       0.694                  0.714                  0.356
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.12   0.04   0.09     0.10  -0.13  -0.09    -0.20  -0.00  -0.06
     2   6     0.04   0.01   0.02     0.04  -0.02  -0.00    -0.07   0.01   0.01
     3   6    -0.01  -0.09  -0.00    -0.00  -0.11  -0.03     0.03   0.03  -0.11
     4   6    -0.01  -0.11   0.01     0.00  -0.12  -0.02     0.02   0.07  -0.13
     5   6    -0.02  -0.03  -0.00    -0.03  -0.05  -0.01     0.01  -0.01  -0.07
     6   6    -0.02  -0.00  -0.00    -0.02   0.07   0.01     0.07  -0.04   0.03
     7   8     0.02  -0.18   0.06     0.00   0.20  -0.03     0.17  -0.12   0.06
     8   6     0.06   0.01   0.04     0.17   0.14   0.03     0.06   0.01   0.13
     9   6    -0.02   0.07  -0.05    -0.14   0.01   0.07    -0.14   0.01   0.07
    10   6    -0.08  -0.03  -0.08    -0.09  -0.05  -0.01     0.05   0.00  -0.08
    11   6    -0.08   0.28  -0.08    -0.04   0.01   0.07    -0.01   0.04   0.10
    12   1    -0.02   0.13  -0.08    -0.16   0.09   0.21    -0.14  -0.02   0.25
    13   1    -0.01   0.10  -0.05    -0.28  -0.04   0.03    -0.31   0.03  -0.00
    14   1    -0.02  -0.14   0.01     0.00  -0.12  -0.03     0.07  -0.00  -0.11
    15   1    -0.12  -0.04  -0.11    -0.15  -0.06  -0.09     0.06   0.06  -0.21
    16   1    -0.11  -0.04  -0.11    -0.03  -0.06   0.03     0.19  -0.09  -0.01
    17   1     0.11   0.03   0.08     0.00  -0.25  -0.12    -0.28  -0.01  -0.14
    18   1     0.15   0.11   0.10     0.12  -0.05  -0.05    -0.27  -0.02   0.03
    19   1     0.15  -0.02   0.14     0.24  -0.16  -0.17    -0.14   0.02  -0.14
    20   1     0.00  -0.01  -0.01     0.12   0.22   0.09     0.15   0.01   0.18
    21   1     0.09  -0.04   0.09     0.30   0.12  -0.04     0.13   0.02   0.07
    22   1     0.09   0.09   0.04     0.18   0.22   0.07    -0.01   0.01   0.24
    23   1     0.01  -0.17   0.03     0.02  -0.12  -0.01     0.02   0.13  -0.15
    24   1    -0.05   0.05  -0.03    -0.06  -0.05  -0.01    -0.03  -0.06  -0.05
    25   1    -0.20   0.33  -0.27    -0.09  -0.04   0.21    -0.04   0.08  -0.01
    26   1    -0.01   0.46   0.03    -0.02  -0.10  -0.01    -0.09   0.13   0.18
    27   1    -0.07   0.27  -0.07    -0.04   0.14   0.08     0.05  -0.02   0.19
                      4                      5                      6
                      A                      A                      A
 Frequencies --    115.7161               140.6741               151.7900
 Red. masses --      1.0817                 2.6931                 3.1542
 Frc consts  --      0.0085                 0.0314                 0.0428
 IR Inten    --      0.0006                 0.3762                 1.5852
 RamAct Fr= 1--      0.4745                 1.2656                 0.5873
  Dep-P Fr= 1--      0.7336                 0.7500                 0.6242
  Dep-U Fr= 1--      0.8463                 0.8571                 0.7687
 Alpha2 Fr= 1--      0.0001                 0.0000                 0.0013
 Beta2  Fr= 1--      0.0669                 0.1808                 0.0752
 AlphaG Fr= 1--     -0.0016                 0.0000                -0.0046
 Gamma2 Fr= 1--     -0.0941                 0.4985                -0.3054
 Delta2 Fr= 1--      0.0667                 0.2985                -0.0745
 Raman1 Fr= 1--       1.898                  5.062                  2.349
 ROA1   Fr= 1--      -6.897                 57.410                -31.706
 CID1   Fr= 1--      -3.634                 11.341                -13.497
 Raman2 Fr= 1--       0.803                  2.170                  0.903
 ROA2   Fr= 1--      -2.792                  9.577                 -6.734
 CID2   Fr= 1--      -3.477                  4.414                 -7.458
 Raman3 Fr= 1--       1.606                  4.339                  1.806
 ROA3   Fr= 1--      -6.897                 57.410                -31.706
 CID3   Fr= 1--      -4.294                 13.231                -17.558
 RC180  Fr= 1--       0.693                  0.714                  0.537
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02   0.01  -0.01     0.03   0.02   0.06     0.03  -0.06  -0.02
     2   6    -0.00   0.01  -0.00     0.01  -0.01   0.01    -0.01  -0.02   0.01
     3   6     0.00   0.02  -0.00     0.00  -0.03  -0.00    -0.01  -0.04  -0.01
     4   6     0.00   0.01  -0.00    -0.01  -0.07  -0.06     0.03   0.08   0.10
     5   6     0.01  -0.04   0.01    -0.07   0.25  -0.17    -0.01   0.22   0.08
     6   6     0.00  -0.01   0.00    -0.00   0.07  -0.05    -0.03   0.05   0.04
     7   8     0.01  -0.04   0.01     0.09  -0.05  -0.00    -0.14  -0.08   0.07
     8   6    -0.01   0.00  -0.01     0.01  -0.05   0.03     0.04   0.03   0.02
     9   6     0.00   0.00   0.00     0.02  -0.00  -0.01    -0.06   0.00  -0.01
    10   6     0.01   0.01   0.00    -0.06  -0.00   0.06     0.09  -0.06  -0.17
    11   6    -0.00   0.04  -0.01    -0.04  -0.07   0.08     0.08  -0.06  -0.08
    12   1     0.00  -0.00   0.00     0.02   0.02  -0.08    -0.06  -0.02   0.16
    13   1     0.00  -0.00   0.00     0.09  -0.02   0.03    -0.23   0.08  -0.08
    14   1    -0.00   0.02  -0.00     0.06   0.01  -0.02    -0.12  -0.13   0.02
    15   1     0.01   0.01   0.01    -0.11  -0.06   0.13     0.18   0.07  -0.36
    16   1     0.01   0.01   0.01    -0.11   0.10   0.06     0.19  -0.30  -0.19
    17   1    -0.01   0.01  -0.01     0.05   0.04   0.07    -0.02  -0.12  -0.03
    18   1    -0.02  -0.01  -0.01     0.05   0.05   0.06     0.04  -0.03  -0.01
    19   1    -0.02   0.01  -0.02     0.03  -0.01   0.10     0.09  -0.08  -0.05
    20   1    -0.00   0.01  -0.00    -0.00  -0.07  -0.00     0.02   0.05   0.03
    21   1    -0.01   0.01  -0.01     0.01  -0.07   0.06     0.09   0.01   0.01
    22   1    -0.01  -0.01  -0.01     0.01  -0.02   0.04     0.05   0.08   0.04
    23   1    -0.01   0.05  -0.01     0.01  -0.38   0.04     0.12  -0.01   0.13
    24   1     0.02  -0.07   0.02    -0.14   0.53  -0.25    -0.01   0.33   0.05
    25   1    -0.23  -0.18   0.49    -0.04  -0.16   0.31     0.20  -0.09   0.03
    26   1     0.33  -0.34  -0.33    -0.08  -0.28  -0.06     0.15  -0.15  -0.15
    27   1    -0.09   0.54  -0.17    -0.01   0.04   0.12     0.00  -0.09  -0.19
                      7                      8                      9
                      A                      A                      A
 Frequencies --    218.2932               244.6938               261.5399
 Red. masses --      1.2307                 1.9476                 2.7532
 Frc consts  --      0.0346                 0.0687                 0.1110
 IR Inten    --      0.1584                 0.6104                 0.2316
 RamAct Fr= 1--      0.2189                 0.2299                 7.0285
  Dep-P Fr= 1--      0.2669                 0.5854                 0.2423
  Dep-U Fr= 1--      0.4213                 0.7385                 0.3901
 Alpha2 Fr= 1--      0.0025                 0.0007                 0.0851
 Beta2  Fr= 1--      0.0154                 0.0283                 0.4569
 AlphaG Fr= 1--     -0.0012                 0.0008                -0.0035
 Gamma2 Fr= 1--      0.3879                 0.2018                 0.0120
 Delta2 Fr= 1--     -0.0594                 0.0712                 0.0181
 Raman1 Fr= 1--       0.876                  0.920                 28.114
 ROA1   Fr= 1--      35.340                 21.653                  1.730
 CID1   Fr= 1--      40.354                 23.541                  0.062
 Raman2 Fr= 1--       0.184                  0.340                  5.483
 ROA2   Fr= 1--       9.785                  4.273                  0.143
 CID2   Fr= 1--      53.038                 12.582                  0.026
 Raman3 Fr= 1--       0.369                  0.679                 10.967
 ROA3   Fr= 1--      35.340                 21.653                  1.730
 CID3   Fr= 1--      95.774                 31.876                  0.158
 RC180  Fr= 1--      -0.157                  0.477                 -0.220
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.07  -0.01   0.05    -0.08   0.04  -0.07    -0.06   0.02   0.01
     2   6    -0.02  -0.01   0.01     0.03   0.00  -0.06    -0.04   0.01  -0.00
     3   6    -0.01   0.02   0.00     0.02   0.01  -0.04    -0.03  -0.05  -0.00
     4   6    -0.02   0.05  -0.02     0.02  -0.04   0.00     0.06  -0.11   0.08
     5   6    -0.00  -0.00  -0.02    -0.02   0.01   0.05     0.07   0.01   0.03
     6   6    -0.00  -0.00  -0.01    -0.03   0.01   0.05     0.10   0.02   0.02
     7   8     0.02  -0.01  -0.01    -0.09   0.00   0.04     0.10   0.04   0.02
     8   6    -0.05   0.01  -0.04     0.13  -0.07   0.07    -0.11  -0.03  -0.04
     9   6    -0.01  -0.03   0.02     0.06   0.00  -0.07    -0.12   0.05  -0.00
    10   6     0.04  -0.01   0.01    -0.06   0.03   0.04    -0.15   0.01  -0.02
    11   6    -0.02   0.00   0.01     0.01  -0.00  -0.02     0.19   0.01  -0.07
    12   1    -0.01  -0.05   0.08     0.06   0.01  -0.22    -0.13   0.12   0.02
    13   1    -0.06  -0.03   0.01     0.21  -0.03  -0.01    -0.15   0.02  -0.01
    14   1     0.00   0.02   0.00     0.01   0.07  -0.06    -0.08  -0.06   0.00
    15   1     0.06   0.02  -0.02    -0.12  -0.06   0.17    -0.23  -0.04  -0.02
    16   1     0.06  -0.04   0.01    -0.13   0.19   0.05    -0.16   0.06  -0.00
    17   1    -0.28  -0.13  -0.22    -0.36   0.01  -0.33    -0.09   0.01  -0.03
    18   1     0.08   0.41   0.37    -0.18   0.23   0.23    -0.07   0.05   0.05
    19   1     0.53  -0.29   0.06     0.20  -0.09  -0.14    -0.02  -0.01   0.00
    20   1     0.04   0.05   0.06     0.33  -0.09   0.15     0.09   0.03   0.11
    21   1    -0.14   0.13  -0.15     0.17  -0.03  -0.02    -0.29   0.20  -0.22
    22   1    -0.11  -0.16  -0.08    -0.00  -0.16   0.23    -0.22  -0.34  -0.10
    23   1    -0.04   0.10  -0.04     0.08  -0.06   0.01     0.10  -0.23   0.12
    24   1     0.01  -0.05  -0.00    -0.06   0.04   0.04     0.07   0.13  -0.00
    25   1    -0.03  -0.00   0.01     0.05   0.00  -0.02     0.27   0.03  -0.08
    26   1    -0.03  -0.00   0.01     0.05   0.00  -0.02     0.28   0.03  -0.07
    27   1    -0.00   0.01   0.03    -0.02  -0.02  -0.06     0.11  -0.03  -0.18
                     10                     11                     12
                      A                      A                      A
 Frequencies --    272.7936               333.8646               358.9876
 Red. masses --      1.1290                 2.3561                 2.3208
 Frc consts  --      0.0495                 0.1547                 0.1762
 IR Inten    --      0.0620                 2.0228                 0.6498
 RamAct Fr= 1--      0.7683                 0.9769                 1.5027
  Dep-P Fr= 1--      0.2245                 0.2459                 0.6693
  Dep-U Fr= 1--      0.3667                 0.3947                 0.8019
 Alpha2 Fr= 1--      0.0098                 0.0117                 0.0022
 Beta2  Fr= 1--      0.0470                 0.0643                 0.2008
 AlphaG Fr= 1--     -0.0056                -0.0037                 0.0134
 Gamma2 Fr= 1--     -0.0350                -0.9850                -0.4437
 Delta2 Fr= 1--     -0.0303                -0.1096                -0.2696
 Raman1 Fr= 1--       3.073                  3.907                  6.011
 ROA1   Fr= 1--      -4.328                -98.071                -51.218
 CID1   Fr= 1--      -1.408                -25.099                 -8.521
 Raman2 Fr= 1--       0.563                  0.771                  2.410
 ROA2   Fr= 1--      -0.598                -22.764                 -8.491
 CID2   Fr= 1--      -1.061                -29.517                 -3.523
 Raman3 Fr= 1--       1.127                  1.542                  4.820
 ROA3   Fr= 1--      -4.328                -98.071                -51.218
 CID3   Fr= 1--      -3.840                -63.582                -10.626
 RC180  Fr= 1--      -0.267                 -0.211                  0.604
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.00  -0.01     0.13   0.04   0.03     0.09  -0.16  -0.05
     2   6    -0.02  -0.01  -0.02     0.02  -0.01  -0.08    -0.04  -0.00   0.05
     3   6    -0.01   0.01  -0.01     0.03   0.04  -0.11    -0.05   0.00   0.04
     4   6     0.01   0.01   0.01     0.02   0.06  -0.11    -0.06   0.16  -0.01
     5   6     0.01   0.00   0.01    -0.03   0.00   0.01    -0.00   0.02  -0.01
     6   6     0.03   0.01   0.01    -0.02   0.01   0.06     0.02   0.02  -0.02
     7   8     0.03   0.01   0.01    -0.07   0.00   0.06     0.07  -0.02   0.00
     8   6    -0.02  -0.02  -0.01     0.03  -0.13  -0.01    -0.01  -0.05   0.11
     9   6    -0.03  -0.02  -0.00    -0.12  -0.03   0.06     0.02   0.05  -0.07
    10   6    -0.03   0.01   0.02    -0.03   0.04   0.06    -0.10   0.02  -0.01
    11   6     0.05   0.00  -0.02     0.04   0.00  -0.02     0.03  -0.00  -0.02
    12   1    -0.03  -0.01  -0.00    -0.14   0.05   0.27     0.03   0.03  -0.27
    13   1    -0.02  -0.05   0.01    -0.30  -0.20   0.02     0.20   0.13  -0.02
    14   1    -0.03   0.03  -0.01     0.08   0.12  -0.14    -0.05  -0.06   0.05
    15   1    -0.06  -0.02   0.05    -0.10  -0.01   0.08    -0.16  -0.06   0.09
    16   1    -0.03   0.05   0.04     0.05   0.13   0.16    -0.20   0.14  -0.04
    17   1    -0.14  -0.04  -0.11     0.36   0.12   0.20     0.10  -0.37   0.08
    18   1    -0.02   0.14   0.12     0.26   0.03  -0.17     0.17  -0.19  -0.21
    19   1     0.15  -0.10  -0.01    -0.04   0.03   0.21     0.13  -0.10  -0.17
    20   1    -0.41  -0.15  -0.34     0.16  -0.22  -0.04     0.12  -0.09   0.14
    21   1     0.14  -0.38   0.36    -0.04  -0.11   0.01    -0.01  -0.03   0.09
    22   1     0.21   0.46  -0.03    -0.05  -0.22   0.06    -0.10  -0.11   0.21
    23   1     0.01   0.03   0.00     0.08   0.14  -0.13    -0.12   0.37  -0.08
    24   1     0.02  -0.01   0.01    -0.10  -0.08   0.04     0.06  -0.17   0.05
    25   1     0.08   0.01  -0.02     0.09   0.01  -0.02     0.08  -0.00  -0.00
    26   1     0.08   0.01  -0.02     0.09   0.01  -0.02     0.03  -0.02  -0.03
    27   1     0.03  -0.01  -0.05    -0.02  -0.03  -0.09     0.02  -0.03  -0.03
                     13                     14                     15
                      A                      A                      A
 Frequencies --    363.0272               415.0673               440.3594
 Red. masses --      2.2433                 2.9342                 2.2953
 Frc consts  --      0.1742                 0.2978                 0.2622
 IR Inten    --      0.3907                 2.8074                 0.5366
 RamAct Fr= 1--      0.7270                 1.9584                 0.4313
  Dep-P Fr= 1--      0.5360                 0.1248                 0.7313
  Dep-U Fr= 1--      0.6979                 0.2220                 0.8448
 Alpha2 Fr= 1--      0.0030                 0.0323                 0.0001
 Beta2  Fr= 1--      0.0846                 0.0725                 0.0607
 AlphaG Fr= 1--      0.0015                -0.0230                 0.0059
 Gamma2 Fr= 1--      0.3638                 0.5729                 0.4878
 Delta2 Fr= 1--      0.0292                 0.1428                 0.0908
 Raman1 Fr= 1--       2.908                  7.834                  1.725
 ROA1   Fr= 1--      35.858                 59.573                 49.735
 CID1   Fr= 1--      12.331                  7.605                 28.826
 Raman2 Fr= 1--       1.015                  0.869                  0.729
 ROA2   Fr= 1--       8.498                 12.608                 10.980
 CID2   Fr= 1--       8.375                 14.502                 15.066
 Raman3 Fr= 1--       2.029                  1.739                  1.458
 ROA3   Fr= 1--      35.858                 59.573                 49.735
 CID3   Fr= 1--      17.669                 34.260                 34.121
 RC180  Fr= 1--       0.396                 -0.556                  0.690
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.05   0.02   0.12     0.02   0.07   0.02    -0.05   0.02   0.00
     2   6    -0.05  -0.08  -0.00    -0.05  -0.05  -0.14     0.12  -0.03   0.03
     3   6    -0.02  -0.07  -0.04    -0.11   0.05   0.04     0.08  -0.12   0.03
     4   6    -0.03   0.07  -0.09    -0.04   0.08   0.20     0.06   0.12   0.02
     5   6    -0.04   0.01  -0.01     0.06   0.03   0.05     0.07   0.06   0.03
     6   6     0.00   0.04   0.04     0.03  -0.03  -0.09     0.01   0.06  -0.06
     7   8     0.02  -0.00   0.06     0.09  -0.01  -0.09    -0.04  -0.06  -0.03
     8   6     0.05   0.15  -0.03     0.12  -0.03  -0.01     0.03  -0.03  -0.10
     9   6     0.03  -0.11  -0.04    -0.08  -0.11  -0.06    -0.03   0.05   0.04
    10   6    -0.04  -0.08   0.03    -0.04  -0.01   0.00    -0.10  -0.04   0.01
    11   6     0.08  -0.00  -0.04    -0.05  -0.00   0.01    -0.05  -0.00   0.04
    12   1     0.04  -0.18  -0.20    -0.08  -0.11   0.04    -0.05   0.22   0.10
    13   1     0.18  -0.08   0.01    -0.15  -0.21  -0.07    -0.10  -0.02   0.02
    14   1     0.02  -0.08  -0.04    -0.31   0.14   0.04     0.06  -0.20   0.05
    15   1    -0.09  -0.17   0.15     0.06   0.05   0.02    -0.27  -0.16   0.02
    16   1    -0.09   0.07   0.05    -0.03  -0.09  -0.02    -0.12   0.10   0.05
    17   1     0.05   0.19   0.12     0.14   0.24   0.05    -0.12   0.13  -0.12
    18   1    -0.04   0.03   0.11     0.08   0.16  -0.01    -0.19  -0.10   0.14
    19   1    -0.17  -0.01   0.27    -0.08  -0.02   0.25    -0.09   0.09  -0.06
    20   1    -0.02   0.35   0.15     0.26  -0.01   0.08    -0.07  -0.02  -0.13
    21   1     0.22   0.20  -0.23     0.31  -0.06  -0.11    -0.10   0.01  -0.06
    22   1     0.08   0.20  -0.05     0.01   0.02   0.21     0.10  -0.09  -0.27
    23   1    -0.03   0.23  -0.14    -0.07   0.08   0.19     0.06   0.41  -0.07
    24   1    -0.08  -0.14   0.03     0.26   0.05   0.04     0.17  -0.20   0.11
    25   1     0.19   0.01  -0.03    -0.16  -0.02   0.02    -0.07  -0.03   0.10
    26   1     0.15  -0.01  -0.05    -0.15  -0.01   0.02    -0.24  -0.07   0.02
    27   1     0.00  -0.07  -0.14     0.04   0.06   0.14     0.06  -0.01   0.20
                     16                     17                     18
                      A                      A                      A
 Frequencies --    487.0436               588.0546               618.5416
 Red. masses --      2.7530                 2.5204                 3.7164
 Frc consts  --      0.3848                 0.5135                 0.8378
 IR Inten    --      8.7908                 2.6738                17.6514
 RamAct Fr= 1--      1.4482                 2.7237                 9.2722
  Dep-P Fr= 1--      0.4114                 0.0404                 0.1255
  Dep-U Fr= 1--      0.5830                 0.0776                 0.2230
 Alpha2 Fr= 1--      0.0103                 0.0550                 0.1524
 Beta2  Fr= 1--      0.1407                 0.0352                 0.3446
 AlphaG Fr= 1--     -0.0129                -0.1676                 0.0808
 Gamma2 Fr= 1--     -0.4231                -0.2397                 0.6934
 Delta2 Fr= 1--     -0.2082                -0.1952                -0.4210
 Raman1 Fr= 1--       5.793                 10.895                 37.089
 ROA1   Fr= 1--     -47.284                -29.254                 53.092
 CID1   Fr= 1--      -8.162                 -2.685                  1.431
 Raman2 Fr= 1--       1.689                  0.423                  4.135
 ROA2   Fr= 1--      -8.490                 -4.191                 20.008
 CID2   Fr= 1--      -5.028                 -9.917                  4.839
 Raman3 Fr= 1--       3.377                  0.845                  8.270
 ROA3   Fr= 1--     -47.284                -29.254                 53.092
 CID3   Fr= 1--     -14.001                -34.614                  6.420
 RC180  Fr= 1--       0.166                 -0.845                 -0.554
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.08   0.06     0.02   0.06  -0.05    -0.03  -0.07   0.06
     2   6    -0.12  -0.02   0.01    -0.06   0.05  -0.03     0.00  -0.03   0.02
     3   6     0.07   0.03  -0.13    -0.01  -0.01  -0.02     0.08   0.03  -0.09
     4   6     0.17  -0.00  -0.00     0.03  -0.10   0.02     0.08  -0.01   0.04
     5   6     0.13   0.03   0.06     0.03  -0.10   0.02    -0.02   0.00   0.16
     6   6     0.07  -0.06  -0.03    -0.02   0.27  -0.09    -0.15   0.05   0.01
     7   8    -0.12  -0.01  -0.06    -0.02  -0.09   0.02     0.20   0.03   0.05
     8   6    -0.08   0.06   0.06    -0.06   0.03   0.05     0.00  -0.00  -0.01
     9   6    -0.03  -0.04  -0.05     0.01  -0.04   0.01    -0.01   0.02  -0.02
    10   6    -0.02   0.05  -0.02     0.02  -0.01   0.01     0.04   0.09  -0.02
    11   6    -0.03   0.02   0.07     0.02   0.04   0.01    -0.23  -0.08  -0.18
    12   1    -0.01  -0.17  -0.18     0.02  -0.12  -0.04    -0.01  -0.01   0.04
    13   1     0.11   0.06  -0.01     0.06  -0.04   0.03    -0.06   0.07  -0.04
    14   1     0.06   0.02  -0.13    -0.01   0.01  -0.02     0.08   0.02  -0.09
    15   1    -0.15  -0.10   0.12     0.06   0.03  -0.01    -0.07  -0.04   0.11
    16   1    -0.04   0.30   0.06     0.05  -0.06   0.01     0.02   0.29   0.05
    17   1     0.06  -0.17   0.17     0.06  -0.00   0.01    -0.03  -0.08   0.07
    18   1     0.12   0.03  -0.06     0.10   0.12  -0.13    -0.03  -0.07   0.06
    19   1     0.03  -0.15   0.13     0.05   0.02  -0.02    -0.03  -0.08   0.07
    20   1    -0.12   0.14   0.12     0.00  -0.01   0.04    -0.07   0.05   0.01
    21   1     0.01   0.07  -0.01    -0.03   0.00   0.07    -0.01   0.03  -0.04
    22   1    -0.06   0.11   0.07    -0.10   0.04   0.14     0.05  -0.00  -0.10
    23   1     0.34  -0.14   0.05     0.01   0.05  -0.03     0.29  -0.01   0.05
    24   1     0.14   0.17   0.01     0.05  -0.25   0.07     0.03   0.04   0.14
    25   1    -0.27  -0.01   0.05     0.45  -0.01   0.30     0.04  -0.07  -0.10
    26   1    -0.14   0.05   0.11    -0.40  -0.29  -0.15    -0.20  -0.16  -0.23
    27   1     0.12   0.17   0.27     0.10  -0.27   0.15    -0.36  -0.27  -0.35
                     19                     20                     21
                      A                      A                      A
 Frequencies --    627.5373               730.1388               825.8333
 Red. masses --      3.2376                 1.4761                 2.4707
 Frc consts  --      0.7512                 0.4636                 0.9928
 IR Inten    --      0.2565                 6.0466                 3.2789
 RamAct Fr= 1--      4.6550                 9.1659                37.2297
  Dep-P Fr= 1--      0.1749                 0.1263                 0.4220
  Dep-U Fr= 1--      0.2977                 0.2243                 0.5935
 Alpha2 Fr= 1--      0.0675                 0.1504                 0.2544
 Beta2  Fr= 1--      0.2310                 0.3426                 3.6829
 AlphaG Fr= 1--      0.1342                 0.1746                 0.2333
 Gamma2 Fr= 1--     -0.4564                 0.8103                -3.5508
 Delta2 Fr= 1--      0.7167                 0.9142                 0.0745
 Raman1 Fr= 1--      18.620                 36.663                148.919
 ROA1   Fr= 1--     -20.877                107.039               -338.494
 CID1   Fr= 1--      -1.121                  2.920                 -2.273
 Raman2 Fr= 1--       2.772                  4.111                 44.195
 ROA2   Fr= 1--     -16.686                 12.132                -85.816
 CID2   Fr= 1--      -6.020                  2.951                 -1.942
 Raman3 Fr= 1--       5.543                  8.222                 88.390
 ROA3   Fr= 1--     -20.877                107.039               -338.494
 CID3   Fr= 1--      -3.766                 13.019                 -3.830
 RC180  Fr= 1--      -0.405                 -0.551                  0.187
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.07   0.18  -0.15     0.02   0.05  -0.04    -0.03  -0.01  -0.03
     2   6    -0.03   0.11  -0.02     0.01   0.01   0.01    -0.11  -0.02  -0.08
     3   6    -0.00  -0.13  -0.07     0.04  -0.06   0.07     0.13  -0.07   0.16
     4   6     0.04   0.04   0.00    -0.02  -0.01   0.01     0.07  -0.07  -0.01
     5   6    -0.00   0.08   0.06    -0.01   0.01  -0.03     0.07   0.08  -0.12
     6   6    -0.01  -0.09   0.02    -0.00  -0.01   0.01    -0.00   0.00   0.05
     7   8     0.06   0.03  -0.01    -0.01   0.00   0.01    -0.02   0.01   0.06
     8   6    -0.10   0.06   0.10    -0.04   0.02   0.05    -0.02  -0.01  -0.04
     9   6     0.04  -0.07   0.09     0.01  -0.08  -0.08    -0.03   0.03   0.00
    10   6    -0.02  -0.18   0.04     0.06   0.06  -0.05    -0.02   0.11   0.01
    11   6    -0.07  -0.04  -0.05     0.01  -0.00   0.01    -0.06  -0.04  -0.01
    12   1     0.05  -0.12  -0.14     0.01  -0.18   0.40    -0.02  -0.01  -0.16
    13   1     0.23  -0.09   0.17    -0.41  -0.03  -0.25     0.13  -0.04   0.07
    14   1     0.01  -0.21  -0.05     0.04  -0.19   0.10     0.14  -0.10   0.16
    15   1    -0.11  -0.20  -0.06    -0.03  -0.19   0.37     0.01   0.23  -0.23
    16   1     0.07  -0.16   0.12    -0.22   0.43  -0.11     0.08  -0.16  -0.03
    17   1     0.09   0.10  -0.09    -0.00   0.04  -0.06     0.08   0.02   0.06
    18   1     0.14   0.22  -0.22    -0.01   0.00  -0.02     0.12   0.20  -0.12
    19   1     0.11   0.18  -0.18     0.02   0.08  -0.09    -0.01  -0.17   0.19
    20   1    -0.01  -0.06   0.01    -0.03   0.02   0.05     0.07   0.00   0.03
    21   1    -0.19   0.03   0.19    -0.04   0.02   0.05     0.19  -0.08  -0.10
    22   1    -0.17   0.01   0.17    -0.05   0.03   0.07    -0.09   0.10   0.16
    23   1     0.18   0.12  -0.01    -0.10   0.03  -0.00    -0.13   0.21  -0.11
    24   1     0.05   0.03   0.08     0.00  -0.05  -0.01     0.14  -0.44   0.05
    25   1    -0.22  -0.03  -0.15    -0.01   0.01  -0.02    -0.12  -0.01  -0.12
    26   1     0.08   0.08   0.02     0.05   0.03   0.02     0.11   0.06   0.03
    27   1    -0.11   0.06  -0.11    -0.01   0.01  -0.02    -0.15   0.00  -0.14
                     22                     23                     24
                      A                      A                      A
 Frequencies --    860.4846               875.6582               894.8879
 Red. masses --      2.8209                 1.9591                 1.7260
 Frc consts  --      1.2306                 0.8851                 0.8144
 IR Inten    --      0.1594                 3.3053                 8.9442
 RamAct Fr= 1--      5.4504                19.5849                 6.8125
  Dep-P Fr= 1--      0.6313                 0.5616                 0.3983
  Dep-U Fr= 1--      0.7740                 0.7192                 0.5697
 Alpha2 Fr= 1--      0.0118                 0.0700                 0.0508
 Beta2  Fr= 1--      0.7031                 2.3477                 0.6468
 AlphaG Fr= 1--     -0.0236                 0.3705                 0.3104
 Gamma2 Fr= 1--      3.5667                 6.0839                 4.1845
 Delta2 Fr= 1--     -0.8298                -0.5162                 0.8336
 Raman1 Fr= 1--      21.802                 78.340                 27.250
 ROA1   Fr= 1--     315.853                567.533                428.382
 CID1   Fr= 1--      14.488                  7.245                 15.721
 Raman2 Fr= 1--       8.437                 28.172                  7.762
 ROA2   Fr= 1--      92.241                150.143                 93.758
 CID2   Fr= 1--      10.933                  5.329                 12.079
 Raman3 Fr= 1--      16.874                 56.345                 15.524
 ROA3   Fr= 1--     315.853                567.533                428.382
 CID3   Fr= 1--      18.719                 10.073                 27.595
 RC180  Fr= 1--       0.548                  0.438                  0.139
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.05   0.03  -0.01    -0.04  -0.00  -0.03     0.02   0.04  -0.01
     2   6     0.10  -0.04   0.04    -0.09  -0.01  -0.04     0.00   0.02   0.05
     3   6     0.02   0.12   0.09     0.03   0.00   0.05     0.04  -0.05   0.02
     4   6     0.08   0.06  -0.06    -0.01   0.10  -0.02    -0.04   0.06   0.02
     5   6     0.14  -0.07  -0.08     0.08  -0.11  -0.04     0.02  -0.07  -0.02
     6   6     0.02   0.02   0.06    -0.00   0.01   0.03    -0.02  -0.01   0.00
     7   8    -0.03   0.02   0.08    -0.02   0.01   0.03    -0.01   0.00  -0.00
     8   6    -0.05   0.03   0.08     0.01  -0.02  -0.06     0.06  -0.02  -0.02
     9   6    -0.05  -0.11  -0.12     0.08   0.08   0.09    -0.10  -0.09   0.03
    10   6    -0.12  -0.07   0.01    -0.00  -0.10  -0.04     0.01   0.12  -0.06
    11   6    -0.09  -0.01  -0.04    -0.04   0.02  -0.01    -0.00   0.02   0.02
    12   1    -0.08   0.05  -0.07     0.08   0.08   0.19    -0.06  -0.35  -0.35
    13   1    -0.10  -0.29  -0.11    -0.07   0.21   0.02     0.30  -0.04   0.18
    14   1     0.09   0.29   0.05     0.00  -0.06   0.07    -0.02  -0.33   0.08
    15   1     0.08   0.13  -0.14    -0.20  -0.28   0.06    -0.14   0.06  -0.15
    16   1    -0.14  -0.39  -0.13    -0.16   0.14  -0.06     0.25   0.20   0.14
    17   1    -0.05   0.07  -0.13     0.07   0.00   0.07    -0.01   0.01  -0.03
    18   1    -0.11  -0.16   0.10     0.12   0.20  -0.11    -0.01  -0.02  -0.00
    19   1     0.01   0.17  -0.18    -0.00  -0.15   0.16     0.02   0.09  -0.08
    20   1    -0.13   0.09   0.11     0.11  -0.03  -0.02    -0.01  -0.04  -0.08
    21   1    -0.09   0.07   0.06     0.18  -0.09  -0.09    -0.11   0.04   0.04
    22   1     0.01   0.02  -0.03    -0.06   0.06   0.13     0.10  -0.11  -0.16
    23   1    -0.01  -0.10  -0.01    -0.07  -0.21   0.08    -0.11  -0.10   0.07
    24   1     0.07   0.28  -0.19     0.01   0.50  -0.23    -0.01   0.34  -0.15
    25   1     0.02  -0.02  -0.00     0.13   0.01   0.06     0.14   0.03   0.05
    26   1    -0.11  -0.07  -0.08    -0.07  -0.08  -0.07     0.03  -0.03  -0.02
    27   1    -0.14  -0.10  -0.11    -0.08  -0.10  -0.07    -0.05  -0.06  -0.05
                     25                     26                     27
                      A                      A                      A
 Frequencies --    928.4926               947.4214               955.8181
 Red. masses --      2.0466                 2.0144                 1.8424
 Frc consts  --      1.0395                 1.0653                 0.9917
 IR Inten    --      5.7556                12.5946                12.4198
 RamAct Fr= 1--      9.5234                16.1179                10.8288
  Dep-P Fr= 1--      0.7030                 0.3359                 0.5960
  Dep-U Fr= 1--      0.8256                 0.5029                 0.7468
 Alpha2 Fr= 1--      0.0078                 0.1480                 0.0310
 Beta2  Fr= 1--      1.3105                 1.3509                 1.3479
 AlphaG Fr= 1--      0.2094                 0.3017                 0.0164
 Gamma2 Fr= 1--     -1.8778                -1.9201                 0.5413
 Delta2 Fr= 1--     -0.7576                -0.8050                -0.2589
 Raman1 Fr= 1--      38.094                 64.472                 43.315
 ROA1   Fr= 1--    -204.513               -210.090                 43.683
 CID1   Fr= 1--      -5.369                 -3.259                  1.008
 Raman2 Fr= 1--      15.726                 16.211                 16.175
 ROA2   Fr= 1--     -39.007                -39.642                 15.063
 CID2   Fr= 1--      -2.481                 -2.445                  0.931
 Raman3 Fr= 1--      31.451                 32.422                 32.349
 ROA3   Fr= 1--    -204.513               -210.090                 43.683
 CID3   Fr= 1--      -6.503                 -6.480                  1.350
 RC180  Fr= 1--       0.651                  0.006                  0.494
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.01  -0.03     0.03  -0.03  -0.03    -0.03   0.10   0.01
     2   6    -0.02  -0.04  -0.03     0.03  -0.07  -0.05    -0.06   0.00   0.07
     3   6     0.06  -0.08   0.10     0.00  -0.07  -0.05    -0.05  -0.03   0.00
     4   6    -0.00   0.05  -0.09    -0.02   0.03   0.05     0.01   0.00  -0.01
     5   6    -0.10  -0.05   0.15     0.04  -0.03  -0.05     0.03  -0.00  -0.02
     6   6     0.02  -0.02  -0.03    -0.06  -0.01  -0.01     0.05   0.02   0.02
     7   8     0.03  -0.01  -0.05    -0.01  -0.01  -0.02    -0.01   0.01   0.04
     8   6    -0.06  -0.01   0.00    -0.07   0.02   0.06     0.06  -0.09  -0.04
     9   6    -0.01   0.02  -0.06    -0.07   0.10  -0.09    -0.08   0.04  -0.07
    10   6    -0.01   0.07   0.06     0.11  -0.03   0.10     0.07  -0.05   0.08
    11   6     0.05   0.01  -0.04    -0.01   0.02   0.08    -0.02  -0.02  -0.06
    12   1    -0.03   0.19  -0.00    -0.12   0.44  -0.21    -0.08   0.05  -0.12
    13   1    -0.05  -0.18  -0.05    -0.01   0.01  -0.06    -0.05   0.21  -0.08
    14   1     0.26  -0.15   0.10    -0.09  -0.07  -0.04    -0.02  -0.04   0.01
    15   1     0.11   0.22  -0.11     0.13  -0.04   0.15     0.21  -0.02   0.25
    16   1     0.04  -0.20  -0.01     0.32   0.08   0.29     0.05  -0.02   0.08
    17   1     0.02   0.07  -0.05     0.04   0.21  -0.15    -0.08  -0.36   0.20
    18   1     0.00   0.03  -0.00    -0.07  -0.04   0.12     0.14   0.07  -0.27
    19   1    -0.01  -0.00   0.02    -0.09  -0.03   0.09     0.21   0.16  -0.29
    20   1    -0.02   0.09   0.14    -0.10   0.08   0.12    -0.15   0.14   0.11
    21   1     0.19  -0.06  -0.12     0.01   0.02  -0.01     0.16   0.00  -0.24
    22   1    -0.08   0.14   0.16    -0.06   0.06   0.08     0.21  -0.01  -0.23
    23   1     0.14  -0.03  -0.05    -0.06   0.00   0.05     0.00  -0.04  -0.00
    24   1    -0.36   0.42   0.01     0.18   0.11  -0.10    -0.00  -0.04  -0.01
    25   1    -0.08  -0.04   0.05     0.24   0.08   0.03    -0.15  -0.05  -0.03
    26   1    -0.19  -0.04  -0.03     0.23   0.02   0.03    -0.16  -0.02  -0.04
    27   1     0.22   0.07   0.21    -0.19  -0.10  -0.18     0.07   0.03   0.07
                     28                     29                     30
                      A                      A                      A
 Frequencies --    960.4879               981.5576               996.4541
 Red. masses --      1.8422                 1.6780                 1.7074
 Frc consts  --      1.0013                 0.9525                 0.9988
 IR Inten    --     32.0957                 2.7159                 3.8398
 RamAct Fr= 1--     37.4359                 3.3776                21.6904
  Dep-P Fr= 1--      0.2420                 0.5327                 0.1015
  Dep-U Fr= 1--      0.3897                 0.6951                 0.1843
 Alpha2 Fr= 1--      0.4537                 0.0142                 0.3783
 Beta2  Fr= 1--      2.4312                 0.3913                 0.6664
 AlphaG Fr= 1--     -0.6382                 0.0804                -0.0642
 Gamma2 Fr= 1--     -6.6184                -1.3549                 0.9266
 Delta2 Fr= 1--     -2.9691                -0.6220                 0.8992
 Raman1 Fr= 1--     149.744                 13.511                 86.762
 ROA1   Fr= 1--    -730.382               -149.976                117.733
 CID1   Fr= 1--      -4.878                -11.101                  1.357
 Raman2 Fr= 1--      29.174                  4.696                  7.997
 ROA2   Fr= 1--    -135.089                -27.542                 15.045
 CID2   Fr= 1--      -4.630                 -5.865                  1.881
 Raman3 Fr= 1--      58.349                  9.392                 15.994
 ROA3   Fr= 1--    -730.382               -149.976                117.733
 CID3   Fr= 1--     -12.517                -15.969                  7.361
 RC180  Fr= 1--      -0.221                  0.390                 -0.631
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02   0.07  -0.04    -0.03   0.00   0.10    -0.02  -0.02  -0.04
     2   6    -0.01  -0.06   0.03    -0.03   0.11   0.00    -0.03   0.02   0.02
     3   6     0.08   0.07   0.02    -0.03  -0.05  -0.00     0.07   0.04   0.09
     4   6    -0.00  -0.01   0.01     0.04   0.01  -0.03     0.03  -0.00  -0.04
     5   6    -0.04   0.02   0.03     0.03  -0.01   0.01    -0.03   0.01   0.05
     6   6    -0.10  -0.03  -0.04    -0.06  -0.02  -0.02    -0.04  -0.01  -0.02
     7   8     0.02  -0.02  -0.07     0.00  -0.01  -0.04     0.01  -0.01  -0.04
     8   6    -0.00  -0.08   0.04     0.02   0.02  -0.09     0.07   0.05  -0.02
     9   6     0.03  -0.02   0.02     0.03  -0.03  -0.04    -0.11   0.00  -0.06
    10   6    -0.05  -0.02  -0.05    -0.02   0.01   0.05     0.02  -0.09   0.03
    11   6     0.02   0.04   0.11    -0.02   0.03   0.08     0.01   0.01   0.03
    12   1     0.02   0.01   0.06     0.02  -0.01   0.12    -0.09  -0.19  -0.21
    13   1    -0.01  -0.04   0.01    -0.10  -0.20  -0.07    -0.01   0.42  -0.08
    14   1     0.14   0.20  -0.02     0.08  -0.12   0.01     0.22   0.19   0.05
    15   1    -0.13  -0.03  -0.15     0.12   0.13   0.01     0.15  -0.09   0.22
    16   1    -0.08  -0.04  -0.07    -0.04  -0.18  -0.04    -0.15  -0.10  -0.09
    17   1     0.02  -0.12   0.09    -0.15  -0.35   0.16     0.09   0.12  -0.00
    18   1     0.14   0.16  -0.22    -0.03  -0.16  -0.03     0.05   0.15  -0.02
    19   1     0.12   0.02  -0.08     0.10   0.14  -0.23    -0.06  -0.14   0.18
    20   1    -0.31   0.26   0.26     0.27  -0.15  -0.15     0.14  -0.21  -0.27
    21   1     0.13   0.05  -0.24     0.09  -0.10   0.02    -0.28   0.05   0.25
    22   1     0.21   0.05  -0.23    -0.14   0.04   0.20     0.00  -0.18  -0.08
    23   1     0.05  -0.01   0.02     0.20   0.04  -0.03     0.07  -0.02  -0.03
    24   1     0.06  -0.08   0.06     0.14   0.11  -0.03    -0.07  -0.01   0.06
    25   1     0.29   0.10   0.04     0.25   0.08   0.02     0.09   0.03   0.02
    26   1     0.31   0.05   0.07     0.25   0.02   0.04     0.09   0.01   0.02
    27   1    -0.15  -0.07  -0.15    -0.20  -0.10  -0.19    -0.02  -0.01  -0.02
                     31                     32                     33
                      A                      A                      A
 Frequencies --   1025.8488              1037.4578              1048.7243
 Red. masses --      1.3006                 1.6763                 1.5740
 Frc consts  --      0.8064                 1.0630                 1.0199
 IR Inten    --     19.3907                 9.2872                 3.2106
 RamAct Fr= 1--      5.6921                11.7962                35.4390
  Dep-P Fr= 1--      0.1596                 0.3402                 0.2207
  Dep-U Fr= 1--      0.2752                 0.5077                 0.3616
 Alpha2 Fr= 1--      0.0859                 0.1069                 0.4553
 Beta2  Fr= 1--      0.2611                 0.9982                 2.1360
 AlphaG Fr= 1--     -0.8541                 0.0752                 0.0469
 Gamma2 Fr= 1--     -3.8754                 1.0600                -1.3226
 Delta2 Fr= 1--     -0.0360                 0.3892                 3.1571
 Raman1 Fr= 1--      22.769                 47.185                141.756
 ROA1   Fr= 1--    -373.187                114.210                -25.938
 CID1   Fr= 1--     -16.390                  2.420                 -0.183
 Raman2 Fr= 1--       3.133                 11.979                 25.632
 ROA2   Fr= 1--     -92.721                 22.326                -56.999
 CID2   Fr= 1--     -29.594                  1.864                 -2.224
 Raman3 Fr= 1--       6.266                 23.957                 51.264
 ROA3   Fr= 1--    -373.187                114.210                -25.938
 CID3   Fr= 1--     -59.557                  4.767                 -0.506
 RC180  Fr= 1--      -0.450                  0.015                 -0.277
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.04  -0.01  -0.02     0.05   0.02   0.04     0.09   0.01  -0.05
     2   6     0.01   0.00  -0.01    -0.01  -0.00   0.01    -0.03  -0.06   0.05
     3   6    -0.04  -0.03  -0.03     0.06   0.09   0.02    -0.11  -0.02  -0.00
     4   6     0.01  -0.05   0.01    -0.00  -0.06   0.03     0.05  -0.00  -0.06
     5   6     0.02  -0.05   0.00    -0.02  -0.03   0.02     0.03   0.01   0.01
     6   6    -0.01   0.06  -0.02    -0.03   0.10  -0.04    -0.00   0.01  -0.01
     7   8    -0.00  -0.01   0.01     0.01  -0.02   0.00    -0.00  -0.01  -0.01
     8   6     0.03   0.00   0.04    -0.04  -0.01  -0.06    -0.02  -0.05  -0.03
     9   6     0.04   0.00  -0.00    -0.06  -0.00   0.01    -0.01   0.02   0.07
    10   6    -0.02   0.04   0.02     0.03  -0.07  -0.04    -0.00   0.05   0.01
    11   6     0.00  -0.06   0.02     0.03  -0.08   0.02    -0.02  -0.01   0.03
    12   1     0.04  -0.01   0.10    -0.05  -0.00  -0.15     0.04  -0.32   0.03
    13   1    -0.04  -0.01  -0.03     0.06   0.07   0.04     0.06   0.42   0.05
    14   1    -0.07  -0.05  -0.03     0.07   0.08   0.03    -0.03  -0.03  -0.01
    15   1     0.14   0.14   0.04    -0.19  -0.23  -0.03     0.21   0.14   0.14
    16   1    -0.08  -0.09  -0.07     0.11   0.15   0.11    -0.24  -0.07  -0.21
    17   1     0.06  -0.00   0.07    -0.09  -0.03  -0.07     0.02   0.31  -0.26
    18   1     0.10   0.15  -0.10    -0.11  -0.21   0.10    -0.14  -0.13   0.21
    19   1     0.00  -0.14   0.13     0.02   0.19  -0.20    -0.11   0.12  -0.03
    20   1    -0.12   0.02  -0.01     0.15  -0.02   0.03    -0.01   0.07   0.11
    21   1    -0.16   0.09   0.06     0.22  -0.12  -0.10     0.21  -0.08  -0.16
    22   1     0.12  -0.10  -0.19    -0.15   0.13   0.24    -0.01   0.08   0.06
    23   1    -0.03   0.55  -0.17    -0.15   0.27  -0.08     0.24  -0.02  -0.04
    24   1    -0.02   0.47  -0.16    -0.12   0.18  -0.04     0.09  -0.01   0.02
    25   1    -0.15  -0.01  -0.15    -0.27  -0.04  -0.21     0.04   0.02  -0.03
    26   1     0.17   0.12   0.11     0.20   0.18   0.17     0.11   0.02   0.03
    27   1    -0.05   0.10  -0.06     0.02   0.19  -0.01    -0.10  -0.02  -0.09
                     34                     35                     36
                      A                      A                      A
 Frequencies --   1055.1060              1153.6606              1182.6438
 Red. masses --      1.5960                 1.6853                 1.6882
 Frc consts  --      1.0468                 1.3216                 1.3912
 IR Inten    --      2.8316                22.1074                41.9542
 RamAct Fr= 1--      6.0442                77.7655                10.5357
  Dep-P Fr= 1--      0.7458                 0.4061                 0.6936
  Dep-U Fr= 1--      0.8544                 0.5776                 0.8191
 Alpha2 Fr= 1--      0.0004                 0.5635                 0.0104
 Beta2  Fr= 1--      0.8607                 7.4865                 1.4383
 AlphaG Fr= 1--     -0.0631                 1.0850                -0.0494
 Gamma2 Fr= 1--      0.2453                 6.3411                -0.7732
 Delta2 Fr= 1--     -0.3116                -0.4486                 0.9378
 Raman1 Fr= 1--      24.177                311.062                 42.143
 ROA1   Fr= 1--      13.579                594.394                -44.223
 CID1   Fr= 1--       0.562                  1.911                 -1.049
 Raman2 Fr= 1--      10.329                 89.839                 17.259
 ROA2   Fr= 1--       8.380                155.775                -26.060
 CID2   Fr= 1--       0.811                  1.734                 -1.510
 Raman3 Fr= 1--      20.657                179.677                 34.518
 ROA3   Fr= 1--      13.579                594.394                -44.223
 CID3   Fr= 1--       0.657                  3.308                 -1.281
 RC180  Fr= 1--       0.709                  0.155                  0.638
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02   0.01   0.01     0.04   0.01   0.06    -0.01  -0.01  -0.03
     2   6    -0.01  -0.00   0.01    -0.06  -0.00  -0.10     0.02   0.02   0.07
     3   6     0.01   0.04  -0.00     0.09  -0.12  -0.03     0.02   0.03  -0.05
     4   6     0.02  -0.11   0.03    -0.05   0.03   0.05    -0.05  -0.00   0.04
     5   6    -0.01   0.05  -0.01    -0.00  -0.02  -0.02    -0.00  -0.01  -0.05
     6   6     0.02  -0.14   0.04    -0.04  -0.01   0.01    -0.16  -0.02   0.01
     7   8    -0.00   0.03  -0.01     0.00   0.01   0.02     0.02   0.02   0.05
     8   6    -0.01  -0.01  -0.02     0.01   0.00   0.03    -0.02  -0.01  -0.03
     9   6    -0.02   0.00   0.01     0.00   0.06  -0.01     0.00  -0.02  -0.01
    10   6     0.01  -0.02  -0.01     0.01   0.02   0.06    -0.04  -0.01  -0.00
    11   6    -0.02   0.10  -0.03     0.03   0.00  -0.02     0.08  -0.00  -0.05
    12   1    -0.01  -0.04  -0.04     0.07  -0.41   0.10    -0.00   0.02   0.02
    13   1     0.02   0.09   0.01    -0.03   0.16  -0.03    -0.02   0.07  -0.03
    14   1     0.00   0.01   0.01     0.03   0.60  -0.19     0.39  -0.17  -0.04
    15   1    -0.02  -0.05   0.02    -0.12   0.03  -0.17     0.17   0.11   0.08
    16   1     0.01   0.04   0.01    -0.13  -0.14  -0.11     0.01  -0.06   0.02
    17   1    -0.03   0.01  -0.03    -0.12  -0.07  -0.05     0.06   0.06   0.00
    18   1    -0.03  -0.07   0.03    -0.09  -0.22   0.08     0.02   0.09   0.00
    19   1     0.00   0.06  -0.06     0.00   0.17  -0.16    -0.02  -0.07   0.08
    20   1     0.03   0.01   0.02    -0.10   0.02  -0.01     0.08   0.00   0.03
    21   1     0.08  -0.04  -0.04    -0.10   0.07   0.02     0.11  -0.07  -0.04
    22   1    -0.03   0.04   0.06     0.05  -0.04  -0.08    -0.04   0.06   0.07
    23   1    -0.12   0.65  -0.21    -0.10   0.03   0.05     0.16   0.03   0.04
    24   1    -0.06   0.24  -0.07     0.13   0.09  -0.06     0.62   0.06  -0.08
    25   1     0.29   0.03   0.25    -0.04  -0.02   0.03    -0.10  -0.06   0.07
    26   1    -0.26  -0.21  -0.20    -0.06   0.01  -0.00    -0.12   0.06   0.04
    27   1     0.04  -0.21   0.07     0.10   0.04   0.09     0.30   0.14   0.26
                     37                     38                     39
                      A                      A                      A
 Frequencies --   1203.5624              1215.3531              1233.3758
 Red. masses --      1.8657                 1.8298                 1.5772
 Frc consts  --      1.5923                 1.5924                 1.4136
 IR Inten    --     17.6000                20.5364                 3.7572
 RamAct Fr= 1--     12.4862                 4.6071                66.3738
  Dep-P Fr= 1--      0.2790                 0.5934                 0.4041
  Dep-U Fr= 1--      0.4363                 0.7448                 0.5756
 Alpha2 Fr= 1--      0.1362                 0.0134                 0.4846
 Beta2  Fr= 1--      0.9079                 0.5719                 6.3670
 AlphaG Fr= 1--      0.1744                -0.0475                 0.3389
 Gamma2 Fr= 1--      2.2728                 4.7302                 0.3383
 Delta2 Fr= 1--     -1.1271                 1.3847                 0.6235
 Raman1 Fr= 1--      49.945                 18.428                265.495
 ROA1   Fr= 1--     182.118                498.409                 52.432
 CID1   Fr= 1--       3.646                 27.046                  0.197
 Raman2 Fr= 1--      10.895                  6.863                 76.404
 ROA2   Fr= 1--      63.563                102.447                  3.132
 CID2   Fr= 1--       5.834                 14.927                  0.041
 Raman3 Fr= 1--      21.789                 13.726                152.807
 ROA3   Fr= 1--     182.118                498.409                 52.432
 CID3   Fr= 1--       8.358                 36.311                  0.343
 RC180  Fr= 1--      -0.127                  0.490                  0.151
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.08   0.03  -0.00     0.01   0.03   0.04     0.04  -0.01   0.03
     2   6     0.18  -0.04   0.05    -0.02  -0.07  -0.09    -0.07   0.03  -0.07
     3   6     0.04  -0.09  -0.04    -0.05  -0.02   0.09     0.09   0.02  -0.07
     4   6    -0.02   0.03   0.03     0.06  -0.01  -0.07    -0.06   0.01   0.07
     5   6    -0.01  -0.01  -0.00     0.01  -0.00  -0.01    -0.01  -0.00   0.00
     6   6     0.04   0.00  -0.00    -0.12  -0.02   0.00     0.08   0.01   0.00
     7   8    -0.01  -0.00  -0.00     0.02   0.01   0.01    -0.01  -0.00  -0.01
     8   6    -0.08   0.03  -0.05     0.02   0.03   0.03     0.01  -0.01   0.02
     9   6    -0.05  -0.03   0.05    -0.03  -0.03   0.09    -0.00  -0.04   0.07
    10   6    -0.02   0.04  -0.05     0.06   0.02  -0.08    -0.04  -0.01  -0.05
    11   6    -0.01   0.00   0.01     0.04   0.00  -0.02    -0.02  -0.00   0.01
    12   1    -0.04  -0.02  -0.12    -0.09   0.47  -0.21    -0.05   0.33  -0.12
    13   1     0.11   0.17   0.08     0.15  -0.15   0.18     0.06  -0.00   0.09
    14   1    -0.12   0.47  -0.16    -0.32   0.16   0.06     0.39  -0.24  -0.03
    15   1     0.28   0.12   0.23     0.09  -0.08   0.21     0.46   0.15   0.37
    16   1    -0.10   0.03  -0.11    -0.22   0.16  -0.23    -0.22  -0.05  -0.19
    17   1     0.06  -0.13   0.19    -0.10  -0.13   0.02    -0.08  -0.02  -0.07
    18   1     0.13   0.17  -0.20     0.01  -0.09  -0.06    -0.07  -0.14   0.08
    19   1     0.14  -0.11   0.01     0.07   0.11  -0.13    -0.04   0.09  -0.05
    20   1     0.17   0.00   0.06    -0.05  -0.03  -0.07    -0.08   0.02  -0.00
    21   1     0.14  -0.13   0.02    -0.15   0.06   0.11    -0.05   0.05  -0.03
    22   1    -0.21   0.16   0.29    -0.01  -0.08  -0.02     0.06  -0.02  -0.08
    23   1    -0.12   0.01   0.03     0.22   0.02  -0.08    -0.18  -0.03   0.08
    24   1    -0.10   0.02  -0.01     0.17   0.04  -0.03    -0.10  -0.02   0.01
    25   1     0.01   0.01  -0.01    -0.02  -0.03   0.06     0.00   0.02  -0.04
    26   1     0.01  -0.02  -0.01    -0.03   0.05   0.03     0.01  -0.03  -0.02
    27   1    -0.06  -0.03  -0.05     0.16   0.07   0.15    -0.09  -0.04  -0.09
                     40                     41                     42
                      A                      A                      A
 Frequencies --   1244.3785              1261.9541              1277.2339
 Red. masses --      1.8557                 1.4447                 1.4974
 Frc consts  --      1.6930                 1.3556                 1.4393
 IR Inten    --      2.4328                35.5767                 1.1178
 RamAct Fr= 1--      3.3381                23.2930                19.6338
  Dep-P Fr= 1--      0.3341                 0.2904                 0.3080
  Dep-U Fr= 1--      0.5008                 0.4501                 0.4710
 Alpha2 Fr= 1--      0.0308                 0.2458                 0.1966
 Beta2  Fr= 1--      0.2786                 1.7473                 1.5412
 AlphaG Fr= 1--      0.0901                 0.0632                 0.0899
 Gamma2 Fr= 1--      0.5211                 1.0551                 2.5426
 Delta2 Fr= 1--     -0.1673                -1.3136                 1.6389
 Raman1 Fr= 1--      13.352                 93.172                 78.535
 ROA1   Fr= 1--      44.674                 59.253                296.533
 CID1   Fr= 1--       3.346                  0.636                  3.776
 Raman2 Fr= 1--       3.344                 20.967                 18.495
 ROA2   Fr= 1--      13.845                 35.831                 47.911
 CID2   Fr= 1--       4.141                  1.709                  2.591
 Raman3 Fr= 1--       6.687                 41.934                 36.990
 ROA3   Fr= 1--      44.674                 59.253                296.533
 CID3   Fr= 1--       6.680                  1.413                  8.017
 RC180  Fr= 1--       0.002                 -0.100                 -0.058
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.06   0.00    -0.00  -0.00  -0.02     0.03  -0.01  -0.02
     2   6     0.07   0.18  -0.05    -0.01   0.00   0.05    -0.08   0.03   0.06
     3   6    -0.01  -0.01   0.04    -0.06  -0.02  -0.00    -0.02  -0.07   0.06
     4   6     0.02   0.00  -0.02    -0.07  -0.01   0.02    -0.02  -0.01  -0.02
     5   6     0.01   0.00   0.00    -0.03  -0.01  -0.00    -0.01  -0.00   0.01
     6   6    -0.03  -0.01   0.00     0.09   0.02   0.00     0.04   0.01   0.00
     7   8     0.01   0.00  -0.00    -0.02  -0.00   0.01    -0.01  -0.00  -0.00
     8   6    -0.03  -0.07   0.02     0.00   0.00  -0.01     0.03  -0.01  -0.01
     9   6    -0.07   0.10   0.01    -0.04   0.00  -0.01     0.04   0.00  -0.01
    10   6     0.03  -0.06  -0.04     0.12   0.02   0.02    -0.07  -0.01  -0.11
    11   6     0.01   0.00  -0.00    -0.03  -0.00   0.01    -0.01   0.00   0.01
    12   1    -0.00  -0.44  -0.10    -0.06   0.17  -0.09     0.03   0.11   0.08
    13   1     0.12  -0.54   0.17     0.09  -0.32   0.09    -0.03  -0.16  -0.01
    14   1    -0.08   0.03   0.04     0.47   0.20  -0.09     0.13   0.53  -0.08
    15   1     0.17  -0.10   0.27    -0.31  -0.17  -0.20     0.21   0.05   0.21
    16   1    -0.11   0.04  -0.09    -0.31   0.03  -0.29     0.47   0.22   0.36
    17   1     0.04   0.01   0.03     0.04   0.04  -0.00     0.01   0.09  -0.08
    18   1    -0.05  -0.02   0.11     0.01   0.06   0.01    -0.02   0.03   0.07
    19   1    -0.09  -0.14   0.18    -0.02  -0.03   0.04    -0.08   0.04   0.01
    20   1    -0.13   0.13   0.19     0.05  -0.02  -0.02     0.01  -0.03  -0.05
    21   1     0.11   0.03  -0.21     0.02  -0.02   0.01    -0.01   0.01  -0.01
    22   1     0.12   0.13  -0.07    -0.00  -0.01  -0.01     0.04  -0.04  -0.06
    23   1     0.01  -0.01  -0.02     0.26   0.08   0.01     0.22   0.06  -0.03
    24   1    -0.04   0.00  -0.00     0.25   0.05  -0.01     0.12   0.05  -0.00
    25   1     0.00  -0.01   0.02    -0.01   0.02  -0.05    -0.01   0.01  -0.03
    26   1    -0.00   0.02   0.01    -0.00  -0.05  -0.03    -0.00  -0.03  -0.02
    27   1     0.04   0.02   0.03    -0.10  -0.05  -0.10    -0.05  -0.02  -0.04
                     43                     44                     45
                      A                      A                      A
 Frequencies --   1291.4346              1307.3593              1339.0706
 Red. masses --      2.0109                 1.7713                 1.4373
 Frc consts  --      1.9760                 1.7837                 1.5184
 IR Inten    --     11.9040                24.3228                 0.6940
 RamAct Fr= 1--     10.6155                 2.0125                33.3824
  Dep-P Fr= 1--      0.3703                 0.5318                 0.2873
  Dep-U Fr= 1--      0.5405                 0.6943                 0.4463
 Alpha2 Fr= 1--      0.0871                 0.0085                 0.3556
 Beta2  Fr= 1--      0.9563                 0.2329                 2.4832
 AlphaG Fr= 1--      0.0804                -0.0036                -0.0120
 Gamma2 Fr= 1--     -3.9483                -0.1754                -0.2745
 Delta2 Fr= 1--     -4.8951                -0.2110                 0.3598
 Raman1 Fr= 1--      42.462                  8.050                133.530
 ROA1   Fr= 1--    -535.681                -23.592                -14.841
 CID1   Fr= 1--     -12.616                 -2.931                 -0.111
 Raman2 Fr= 1--      11.476                  2.795                 29.799
 ROA2   Fr= 1--     -55.598                 -2.522                 -9.467
 CID2   Fr= 1--      -4.845                 -0.902                 -0.318
 Raman3 Fr= 1--      22.951                  5.589                 59.597
 ROA3   Fr= 1--    -535.681                -23.592                -14.841
 CID3   Fr= 1--     -23.340                 -4.221                 -0.249
 RC180  Fr= 1--       0.081                  0.389                 -0.107
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.07  -0.02     0.02   0.01  -0.04     0.01   0.00  -0.01
     2   6    -0.03   0.20   0.05    -0.10  -0.06   0.16    -0.02  -0.00   0.03
     3   6     0.01  -0.06  -0.01     0.04  -0.02  -0.08     0.04   0.01  -0.01
     4   6     0.03   0.01  -0.01     0.05   0.00   0.02     0.01   0.04   0.12
     5   6     0.02   0.00   0.01     0.05   0.01   0.01    -0.02  -0.04  -0.13
     6   6    -0.04  -0.01   0.00    -0.07  -0.01  -0.00    -0.03  -0.00   0.00
     7   8     0.01   0.00  -0.00     0.01   0.00  -0.00     0.00   0.00   0.00
     8   6     0.00  -0.07  -0.01     0.02   0.03  -0.04     0.00   0.00  -0.01
     9   6     0.01  -0.16  -0.00     0.01   0.06  -0.03    -0.00   0.00  -0.01
    10   6     0.04   0.03   0.03     0.01   0.01   0.01    -0.00  -0.00   0.01
    11   6     0.01   0.00  -0.01     0.01  -0.00  -0.01     0.02   0.00  -0.00
    12   1    -0.09   0.53  -0.12     0.01   0.05   0.06    -0.01   0.02   0.03
    13   1    -0.09   0.35  -0.12     0.05  -0.56   0.08     0.02  -0.05   0.01
    14   1    -0.24   0.27  -0.06    -0.18   0.10  -0.09    -0.12  -0.00   0.01
    15   1    -0.20  -0.06  -0.12     0.09   0.03   0.07     0.02   0.02  -0.00
    16   1    -0.08  -0.08  -0.10    -0.19  -0.05  -0.17    -0.05  -0.02  -0.03
    17   1     0.07   0.13  -0.05     0.04   0.16  -0.10     0.01   0.01  -0.01
    18   1    -0.04   0.07   0.16     0.04   0.11   0.01    -0.01   0.02   0.04
    19   1    -0.14  -0.04   0.10    -0.05   0.06  -0.04    -0.04   0.01   0.01
    20   1    -0.05   0.08   0.11     0.14  -0.11  -0.13     0.02  -0.01  -0.01
    21   1     0.08   0.02  -0.17     0.07  -0.07   0.05     0.02  -0.01   0.00
    22   1     0.10   0.12  -0.04    -0.03  -0.10  -0.03    -0.01  -0.01  -0.00
    23   1    -0.21  -0.01  -0.01    -0.52  -0.06   0.01     0.70   0.16   0.12
    24   1    -0.14   0.01   0.00    -0.22  -0.03   0.02    -0.60  -0.14  -0.11
    25   1     0.02  -0.01   0.03     0.03  -0.02   0.05    -0.02  -0.02   0.03
    26   1     0.01   0.03   0.02     0.02   0.05   0.03    -0.02   0.03   0.02
    27   1     0.05   0.02   0.05     0.07   0.04   0.07     0.03   0.01   0.01
                     46                     47                     48
                      A                      A                      A
 Frequencies --   1377.9735              1392.4718              1405.9125
 Red. masses --      1.3209                 1.5796                 1.2727
 Frc consts  --      1.4777                 1.8046                 1.4822
 IR Inten    --      3.9951                96.3392                 7.9052
 RamAct Fr= 1--      2.4306                 8.6298                 1.3479
  Dep-P Fr= 1--      0.6067                 0.1738                 0.4442
  Dep-U Fr= 1--      0.7552                 0.2962                 0.6152
 Alpha2 Fr= 1--      0.0064                 0.1255                 0.0085
 Beta2  Fr= 1--      0.3059                 0.4260                 0.1382
 AlphaG Fr= 1--      0.0155                 0.0578                -0.0216
 Gamma2 Fr= 1--      0.1566                 0.8806                -0.6489
 Delta2 Fr= 1--      0.2251                 0.1091                -0.0830
 Raman1 Fr= 1--       9.722                 34.519                  5.391
 ROA1   Fr= 1--      22.240                 88.027                -64.953
 CID1   Fr= 1--       2.288                  2.550                -12.047
 Raman2 Fr= 1--       3.671                  5.112                  1.658
 ROA2   Fr= 1--       1.959                 20.262                -14.910
 CID2   Fr= 1--       0.534                  3.964                 -8.991
 Raman3 Fr= 1--       7.343                 10.224                  3.317
 ROA3   Fr= 1--      22.240                 88.027                -64.953
 CID3   Fr= 1--       3.029                  8.610                -19.583
 RC180  Fr= 1--       0.510                 -0.408                  0.230
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.01   0.00    -0.00   0.01  -0.00     0.03   0.06  -0.06
     2   6     0.02  -0.01  -0.03     0.02  -0.01  -0.03    -0.02  -0.01   0.03
     3   6    -0.09  -0.02   0.01    -0.11  -0.02   0.01     0.02   0.00  -0.01
     4   6     0.02   0.01   0.02     0.05   0.01   0.02    -0.00  -0.00  -0.00
     5   6     0.06   0.01  -0.01     0.08   0.01  -0.01    -0.01   0.00   0.00
     6   6    -0.02  -0.00   0.01    -0.10  -0.02   0.00     0.00   0.00  -0.00
     7   8     0.00  -0.00  -0.01     0.01   0.00  -0.01    -0.00   0.00   0.00
     8   6     0.00   0.00   0.01     0.00  -0.00   0.00     0.08  -0.04  -0.08
     9   6     0.00  -0.00   0.01     0.00  -0.00   0.01     0.00   0.00  -0.01
    10   6     0.01   0.00  -0.01     0.01   0.00  -0.01    -0.00  -0.00   0.00
    11   6    -0.08  -0.03  -0.06     0.11   0.04   0.06    -0.00  -0.00  -0.00
    12   1     0.00  -0.01   0.01     0.00  -0.00   0.02     0.00   0.02   0.02
    13   1     0.02   0.05   0.01     0.02   0.05   0.01     0.01  -0.05   0.00
    14   1     0.48   0.07  -0.05     0.50   0.08  -0.05    -0.08   0.01  -0.01
    15   1    -0.04  -0.01  -0.04    -0.04  -0.01  -0.04     0.03   0.03  -0.02
    16   1     0.06   0.08   0.05     0.06   0.08   0.05    -0.03   0.02  -0.01
    17   1    -0.01  -0.06   0.03    -0.01  -0.07   0.04    -0.00  -0.31   0.12
    18   1    -0.03  -0.05  -0.01    -0.04  -0.06  -0.00    -0.23  -0.22   0.16
    19   1     0.03  -0.04   0.03     0.03  -0.05   0.05    -0.03  -0.16   0.32
    20   1    -0.02   0.02   0.02    -0.02   0.02   0.02    -0.25   0.31   0.17
    21   1    -0.03   0.01   0.02    -0.03   0.01   0.02    -0.40   0.04   0.21
    22   1     0.00   0.00   0.00     0.00   0.00   0.01    -0.16   0.11   0.41
    23   1    -0.12  -0.01   0.02    -0.22  -0.02   0.02    -0.02   0.01  -0.01
    24   1    -0.31  -0.05   0.01    -0.35  -0.06   0.01     0.04   0.01   0.00
    25   1     0.37  -0.07   0.28    -0.38   0.04  -0.20     0.01   0.00   0.00
    26   1     0.30   0.33   0.15    -0.33  -0.26  -0.10     0.01   0.00   0.00
    27   1     0.19   0.13   0.31    -0.13  -0.11  -0.27     0.00   0.00   0.01
                     49                     50                     51
                      A                      A                      A
 Frequencies --   1423.3862              1464.8760              1474.3419
 Red. masses --      1.2281                 1.0593                 1.0480
 Frc consts  --      1.4660                 1.3392                 1.3421
 IR Inten    --      3.4443                15.0515                 9.1524
 RamAct Fr= 1--      1.4132                 9.5111                 5.8329
  Dep-P Fr= 1--      0.6994                 0.3631                 0.7492
  Dep-U Fr= 1--      0.8231                 0.5328                 0.8566
 Alpha2 Fr= 1--      0.0012                 0.0800                 0.0001
 Beta2  Fr= 1--      0.1939                 0.8445                 0.8328
 AlphaG Fr= 1--      0.0009                 0.0238                 0.0018
 Gamma2 Fr= 1--     -0.0243                 0.4012                -0.0824
 Delta2 Fr= 1--     -0.1154                 0.0870                 0.1057
 Raman1 Fr= 1--       5.653                 38.045                 23.331
 ROA1   Fr= 1--      -6.031                 41.303                 -4.531
 CID1   Fr= 1--      -1.067                  1.086                 -0.194
 Raman2 Fr= 1--       2.326                 10.134                  9.993
 ROA2   Fr= 1--       0.339                  8.933                 -2.823
 CID2   Fr= 1--       0.146                  0.882                 -0.283
 Raman3 Fr= 1--       4.653                 20.268                 19.986
 ROA3   Fr= 1--      -6.031                 41.303                 -4.531
 CID3   Fr= 1--      -1.296                  2.038                 -0.227
 RC180  Fr= 1--       0.646                  0.066                  0.713
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03   0.08  -0.07    -0.00   0.00  -0.00    -0.00   0.00   0.00
     2   6    -0.00  -0.01   0.01    -0.00   0.00   0.00     0.00   0.00  -0.00
     3   6     0.01  -0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
     4   6    -0.00  -0.00  -0.00    -0.01  -0.00  -0.01    -0.00  -0.00   0.00
     5   6    -0.01  -0.00   0.00    -0.00   0.00   0.01    -0.00   0.01  -0.00
     6   6     0.00   0.00  -0.00     0.01   0.01   0.02     0.00  -0.02   0.01
     7   8    -0.00   0.00   0.00    -0.00  -0.01  -0.02    -0.00   0.00  -0.00
     8   6    -0.06   0.04   0.05     0.00   0.00   0.00    -0.00  -0.00   0.00
     9   6     0.01  -0.01   0.01     0.00   0.00   0.00    -0.00  -0.00  -0.00
    10   6    -0.00   0.01   0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
    11   6    -0.00  -0.00  -0.00     0.05  -0.00  -0.03     0.01  -0.05   0.02
    12   1    -0.00   0.03  -0.06     0.00  -0.00  -0.00    -0.00   0.00   0.00
    13   1    -0.06   0.02  -0.03    -0.00  -0.00  -0.00     0.00   0.00   0.00
    14   1    -0.07   0.02  -0.00    -0.02  -0.00   0.00    -0.00   0.00  -0.00
    15   1    -0.01  -0.01   0.02     0.00  -0.00   0.00    -0.00  -0.00   0.00
    16   1     0.01  -0.03  -0.01    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    17   1    -0.01  -0.37   0.15     0.01   0.00   0.00    -0.00   0.00  -0.00
    18   1    -0.29  -0.32   0.15    -0.00  -0.00   0.00     0.00  -0.00  -0.00
    19   1     0.01  -0.23   0.40     0.01  -0.00  -0.00     0.00  -0.00   0.00
    20   1     0.20  -0.24  -0.15    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    21   1     0.34  -0.06  -0.13     0.00   0.00  -0.00    -0.00   0.00  -0.00
    22   1     0.10  -0.13  -0.32    -0.00  -0.00   0.00     0.00   0.00   0.00
    23   1    -0.00   0.01  -0.01    -0.00  -0.00  -0.01    -0.00   0.01  -0.00
    24   1     0.03   0.01  -0.00     0.05   0.01   0.01     0.00  -0.01   0.00
    25   1     0.00   0.00  -0.00    -0.16  -0.23   0.56     0.45   0.09  -0.15
    26   1     0.01  -0.00  -0.00    -0.27   0.44   0.35    -0.47   0.02   0.12
    27   1     0.00   0.00   0.00    -0.21  -0.15  -0.37    -0.12   0.68  -0.21
                     52                     53                     54
                      A                      A                      A
 Frequencies --   1483.1675              1485.6669              1492.5499
 Red. masses --      1.0673                 1.0452                 1.0650
 Frc consts  --      1.3833                 1.3593                 1.3979
 IR Inten    --      1.5335                 0.6249                 6.0465
 RamAct Fr= 1--      6.4758                 9.4035                 6.7494
  Dep-P Fr= 1--      0.6883                 0.7267                 0.7326
  Dep-U Fr= 1--      0.8154                 0.8417                 0.8457
 Alpha2 Fr= 1--      0.0070                 0.0038                 0.0020
 Beta2  Fr= 1--      0.8801                 1.3192                 0.9513
 AlphaG Fr= 1--     -0.0354                 0.0034                 0.0108
 Gamma2 Fr= 1--     -1.9012                -0.1150                 1.8963
 Delta2 Fr= 1--     -0.5502                 0.4192                 0.9919
 Raman1 Fr= 1--      25.903                 37.614                 26.998
 ROA1   Fr= 1--    -200.119                  2.372                213.786
 CID1   Fr= 1--      -7.726                  0.063                  7.919
 Raman2 Fr= 1--      10.561                 15.830                 11.416
 ROA2   Fr= 1--     -41.226                 -6.114                 37.576
 CID2   Fr= 1--      -3.904                 -0.386                  3.292
 Raman3 Fr= 1--      21.121                 31.660                 22.832
 ROA3   Fr= 1--    -200.119                  2.372                213.786
 CID3   Fr= 1--      -9.475                  0.075                  9.364
 RC180  Fr= 1--       0.631                  0.683                  0.691
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.02   0.01    -0.04  -0.00  -0.02    -0.02   0.02   0.02
     2   6    -0.01  -0.00   0.01    -0.00   0.00   0.00    -0.01   0.01   0.02
     3   6     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
     4   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
     5   6    -0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
     6   6     0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
     7   8    -0.00   0.00   0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
     8   6    -0.01  -0.02   0.01     0.03   0.00   0.03    -0.00  -0.02   0.00
     9   6    -0.02  -0.00  -0.04     0.00   0.00   0.00     0.02   0.00   0.02
    10   6    -0.00   0.04  -0.02    -0.00   0.00  -0.00     0.00  -0.04   0.02
    11   6    -0.00   0.00  -0.00     0.00   0.00   0.00    -0.00   0.00   0.00
    12   1    -0.03   0.07   0.37    -0.00   0.00  -0.01     0.01  -0.02  -0.23
    13   1     0.36   0.05   0.12    -0.01  -0.01   0.00    -0.23  -0.06  -0.07
    14   1    -0.01  -0.00  -0.00     0.01   0.00  -0.00    -0.03   0.02  -0.00
    15   1    -0.15  -0.20   0.26    -0.01  -0.01   0.02     0.17   0.22  -0.28
    16   1     0.14  -0.33  -0.04     0.00  -0.03  -0.01    -0.16   0.36   0.05
    17   1    -0.03   0.17  -0.09     0.37   0.18   0.27    -0.05   0.25  -0.15
    18   1    -0.01  -0.25  -0.19    -0.18  -0.06   0.21     0.01  -0.32  -0.28
    19   1     0.23  -0.16   0.06     0.33  -0.07  -0.22     0.29  -0.21   0.08
    20   1     0.18  -0.10  -0.01    -0.36  -0.14  -0.33     0.14  -0.10  -0.03
    21   1    -0.19   0.16  -0.10     0.10   0.19  -0.31    -0.15   0.14  -0.11
    22   1     0.14   0.30   0.01    -0.17  -0.12   0.24     0.11   0.25   0.02
    23   1     0.00   0.00   0.00    -0.00   0.01  -0.00     0.02  -0.00   0.00
    24   1     0.00   0.00  -0.00    -0.01   0.00  -0.00    -0.00  -0.00  -0.00
    25   1    -0.00  -0.00   0.00    -0.00   0.00  -0.01    -0.00   0.00  -0.00
    26   1     0.00   0.00  -0.00     0.00  -0.01  -0.00     0.00  -0.00  -0.00
    27   1     0.00  -0.00   0.00     0.00   0.00   0.00     0.00  -0.00   0.00
                     55                     56                     57
                      A                      A                      A
 Frequencies --   1501.8407              1505.4414              1509.2461
 Red. masses --      1.0917                 1.0660                 1.0658
 Frc consts  --      1.4508                 1.4234                 1.4304
 IR Inten    --      3.8785                 8.9955                 5.7837
 RamAct Fr= 1--     12.5724                 7.1680                 0.3631
  Dep-P Fr= 1--      0.5617                 0.6679                 0.3486
  Dep-U Fr= 1--      0.7193                 0.8009                 0.5169
 Alpha2 Fr= 1--      0.0449                 0.0105                 0.0032
 Beta2  Fr= 1--      1.5073                 0.9568                 0.0313
 AlphaG Fr= 1--      0.0185                -0.0349                -0.0032
 Gamma2 Fr= 1--     -0.2415                -0.9944                -0.2640
 Delta2 Fr= 1--      0.2620                 1.6749                 0.0583
 Raman1 Fr= 1--      50.290                 28.672                  1.452
 ROA1   Fr= 1--     -14.798                -41.867                -23.482
 CID1   Fr= 1--      -0.294                 -1.460                -16.170
 Raman2 Fr= 1--      18.088                 11.481                  0.375
 ROA2   Fr= 1--      -7.892                -37.266                 -6.804
 CID2   Fr= 1--      -0.436                 -3.246                -18.126
 Raman3 Fr= 1--      36.175                 22.962                  0.751
 ROA3   Fr= 1--     -14.798                -41.867                -23.482
 CID3   Fr= 1--      -0.409                 -1.823                -31.280
 RC180  Fr= 1--       0.439                  0.602                  0.034
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.00   0.00     0.01  -0.01  -0.03    -0.02  -0.01  -0.02
     2   6    -0.02   0.03  -0.02    -0.00  -0.03  -0.01    -0.03  -0.02  -0.02
     3   6     0.01  -0.00   0.01     0.00   0.00   0.00     0.00   0.00  -0.00
     4   6    -0.00  -0.00  -0.01    -0.00  -0.00  -0.01    -0.00   0.00   0.00
     5   6     0.00   0.00   0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
     6   6     0.00   0.00   0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
     7   8     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
     8   6    -0.01   0.02  -0.02    -0.02  -0.02   0.02    -0.02  -0.01  -0.02
     9   6    -0.03  -0.02  -0.04    -0.02  -0.00  -0.02     0.02   0.01   0.03
    10   6     0.00  -0.04   0.01    -0.00  -0.03   0.01    -0.00   0.02  -0.01
    11   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00   0.00
    12   1    -0.04   0.09   0.37    -0.02   0.03   0.24     0.03  -0.04  -0.24
    13   1     0.37   0.08   0.12     0.23   0.05   0.08    -0.24  -0.06  -0.07
    14   1    -0.04   0.01   0.01    -0.02  -0.01   0.01     0.01  -0.01   0.00
    15   1     0.13   0.15  -0.20     0.13   0.16  -0.21    -0.06  -0.08   0.12
    16   1    -0.11   0.26   0.03    -0.12   0.27   0.03     0.07  -0.15  -0.02
    17   1     0.15   0.17   0.07     0.12  -0.21   0.20     0.34   0.12   0.26
    18   1    -0.09  -0.15   0.02    -0.06   0.26   0.30    -0.17   0.01   0.25
    19   1     0.24  -0.11  -0.07    -0.19   0.17  -0.10     0.24  -0.00  -0.24
    20   1    -0.01   0.19   0.20     0.24  -0.18  -0.05     0.33   0.11   0.29
    21   1     0.17  -0.28   0.26    -0.20   0.21  -0.15    -0.16  -0.13   0.27
    22   1    -0.04  -0.28  -0.17     0.17   0.37  -0.01     0.17   0.16  -0.20
    23   1    -0.00  -0.00  -0.01    -0.02  -0.00  -0.01     0.01   0.01  -0.00
    24   1     0.01   0.00   0.00     0.01   0.00   0.00    -0.01  -0.00  -0.00
    25   1    -0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    26   1    -0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
    27   1    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
                     58                     59                     60
                      A                      A                      A
 Frequencies --   1674.1597              1761.9057              3020.5435
 Red. masses --      6.6567                 8.4459                 1.0348
 Frc consts  --     10.9927                15.4476                 5.5627
 IR Inten    --    253.6549               111.4582                23.6476
 RamAct Fr= 1--    815.7393                24.2856                47.7680
  Dep-P Fr= 1--      0.2745                 0.7435                 0.0853
  Dep-U Fr= 1--      0.4308                 0.8529                 0.1572
 Alpha2 Fr= 1--      9.0168                 0.0027                 0.8668
 Beta2  Fr= 1--     58.5690                 3.4522                 1.2518
 AlphaG Fr= 1--     -1.9016                -0.0254                 0.0835
 Gamma2 Fr= 1--    -25.2246                 0.3746                -2.4781
 Delta2 Fr= 1--      4.2821                 0.4962                -1.6588
 Raman1 Fr= 1--    3262.957                 97.142                191.072
 ROA1   Fr= 1--   -2284.537                 51.836               -290.982
 CID1   Fr= 1--      -0.700                  0.534                 -1.523
 Raman2 Fr= 1--     702.828                 41.426                 15.022
 ROA2   Fr= 1--    -639.648                  5.020                -46.205
 CID2   Fr= 1--      -0.910                  0.121                 -3.076
 Raman3 Fr= 1--    1405.656                 82.852                 30.044
 ROA3   Fr= 1--   -2284.537                 51.836               -290.982
 CID3   Fr= 1--      -1.625                  0.626                 -9.685
 RC180  Fr= 1--      -0.138                  0.706                 -0.686
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00   0.00    -0.00   0.00   0.00    -0.00  -0.02   0.01
     2   6    -0.02   0.00  -0.01    -0.00  -0.00  -0.00     0.00   0.00  -0.00
     3   6    -0.08  -0.02   0.01    -0.04  -0.01  -0.00    -0.00  -0.00  -0.00
     4   6     0.43   0.11   0.12     0.22   0.06   0.08    -0.00   0.00  -0.00
     5   6    -0.40  -0.10  -0.10    -0.22  -0.07  -0.11    -0.00   0.00   0.00
     6   6     0.08  -0.06  -0.25    -0.01   0.18   0.57     0.00  -0.00  -0.00
     7   8    -0.02   0.05   0.16     0.02  -0.11  -0.36    -0.00   0.00   0.00
     8   6     0.01  -0.00   0.00     0.00  -0.00  -0.00    -0.03   0.02   0.03
     9   6     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    10   6    -0.01  -0.01  -0.01    -0.00   0.00  -0.00     0.00   0.00  -0.00
    11   6     0.00   0.00   0.01    -0.00  -0.01  -0.04    -0.00   0.00   0.00
    12   1     0.00   0.01   0.02     0.00   0.00   0.00    -0.02  -0.00   0.00
    13   1     0.01   0.00   0.00    -0.00  -0.00  -0.00     0.01  -0.00  -0.01
    14   1     0.21   0.05  -0.01     0.10   0.01  -0.02     0.00   0.01   0.03
    15   1     0.02   0.01  -0.01     0.01   0.00   0.00     0.00  -0.01  -0.00
    16   1     0.03   0.06   0.04     0.00   0.01   0.00    -0.01  -0.00   0.01
    17   1     0.01   0.00   0.01     0.00   0.00   0.00     0.12  -0.07  -0.12
    18   1    -0.02  -0.02   0.02    -0.00  -0.01   0.00    -0.23   0.11  -0.14
    19   1     0.01   0.00  -0.01     0.01  -0.00  -0.00     0.13   0.20   0.14
    20   1    -0.00   0.00   0.00    -0.00   0.00  -0.00     0.14   0.33  -0.28
    21   1    -0.01   0.00   0.01    -0.00   0.00  -0.00    -0.23  -0.40  -0.28
    22   1     0.02  -0.01  -0.02     0.00  -0.00   0.00     0.43  -0.20   0.27
    23   1    -0.49  -0.04   0.14    -0.25  -0.01   0.11    -0.00   0.00   0.00
    24   1     0.33  -0.00  -0.17     0.39   0.01  -0.16     0.00   0.00   0.00
    25   1     0.05  -0.02   0.09    -0.07   0.03  -0.16     0.00  -0.00  -0.00
    26   1     0.03   0.08   0.06    -0.04  -0.13  -0.10    -0.00  -0.00   0.00
    27   1    -0.07  -0.04  -0.10     0.13   0.08   0.18     0.00  -0.00  -0.00
                     61                     62                     63
                      A                      A                      A
 Frequencies --   3026.2509              3029.6333              3052.0825
 Red. masses --      1.0367                 1.0378                 1.0596
 Frc consts  --      5.5939                 5.6124                 5.8155
 IR Inten    --     29.6108                 2.9150                50.3229
 RamAct Fr= 1--    266.8716               229.5392               118.9363
  Dep-P Fr= 1--      0.0295                 0.0212                 0.1262
  Dep-U Fr= 1--      0.0572                 0.0416                 0.2241
 Alpha2 Fr= 1--      5.5346                 4.8535                 1.9520
 Beta2  Fr= 1--      2.5452                 1.5900                 4.4422
 AlphaG Fr= 1--     -1.6425                 0.4597                -0.0474
 Gamma2 Fr= 1--      3.4049                 0.7139                -1.5015
 Delta2 Fr= 1--     -1.6048                -1.8534                -3.8094
 Raman1 Fr= 1--    1067.487                918.157                475.745
 ROA1   Fr= 1--     275.519                  9.225               -266.040
 CID1   Fr= 1--       0.258                  0.010                 -0.559
 Raman2 Fr= 1--      30.542                 19.080                 53.306
 ROA2   Fr= 1--      94.556                 31.961                 -5.560
 CID2   Fr= 1--       3.096                  1.675                 -0.104
 Raman3 Fr= 1--      61.085                 38.160                106.613
 ROA3   Fr= 1--     275.519                  9.225               -266.040
 CID3   Fr= 1--       4.510                  0.242                 -2.495
 RC180  Fr= 1--      -0.886                 -0.917                 -0.552
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.04  -0.02     0.00   0.00  -0.00    -0.00   0.00  -0.00
     2   6    -0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
     3   6     0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.01  -0.02
     4   6     0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
     5   6    -0.00  -0.00   0.00     0.00   0.00   0.00    -0.00   0.00   0.00
     6   6     0.00  -0.00  -0.00     0.00   0.00  -0.00     0.00   0.00   0.00
     7   8    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
     8   6    -0.01   0.01   0.01     0.00  -0.00   0.00     0.00   0.00   0.00
     9   6     0.00   0.00   0.00     0.00   0.00   0.00    -0.04  -0.01  -0.05
    10   6     0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.01   0.00
    11   6    -0.00  -0.00   0.00    -0.02  -0.02  -0.04    -0.00  -0.00   0.00
    12   1    -0.07  -0.01   0.00    -0.00  -0.00   0.00     0.67   0.09  -0.01
    13   1     0.03  -0.01  -0.06     0.00  -0.00  -0.00    -0.26   0.08   0.62
    14   1     0.00   0.01   0.06     0.00  -0.00  -0.00     0.01   0.06   0.26
    15   1     0.01  -0.01  -0.00     0.00  -0.00  -0.00     0.05  -0.08  -0.04
    16   1    -0.01  -0.00   0.01    -0.00  -0.00   0.00    -0.01  -0.00   0.01
    17   1    -0.24   0.14   0.25    -0.00   0.00   0.00    -0.01   0.00   0.01
    18   1     0.46  -0.22   0.28     0.00  -0.00   0.00     0.03  -0.02   0.02
    19   1    -0.25  -0.41  -0.28    -0.00  -0.00  -0.00    -0.02  -0.03  -0.02
    20   1     0.07   0.17  -0.15     0.00   0.00  -0.00     0.01   0.02  -0.02
    21   1    -0.11  -0.19  -0.14    -0.00  -0.00  -0.00    -0.02  -0.03  -0.02
    22   1     0.21  -0.09   0.13     0.00  -0.00  -0.00     0.00  -0.00   0.00
    23   1     0.00  -0.00  -0.01     0.00   0.00   0.00     0.00  -0.01  -0.03
    24   1     0.00   0.00  -0.00    -0.00  -0.01  -0.02     0.00  -0.00  -0.01
    25   1    -0.00   0.00   0.00    -0.10   0.62   0.21    -0.00   0.00   0.00
    26   1    -0.00   0.00  -0.00     0.08  -0.39   0.52    -0.00   0.00  -0.00
    27   1     0.00  -0.00  -0.00     0.30  -0.02  -0.22     0.00  -0.00  -0.00
                     64                     65                     66
                      A                      A                      A
 Frequencies --   3055.7039              3069.7934              3077.9218
 Red. masses --      1.0813                 1.0623                 1.1017
 Frc consts  --      5.9484                 5.8980                 6.1493
 IR Inten    --     14.0343                27.1131                 1.9370
 RamAct Fr= 1--     77.5868               232.9534                12.7445
  Dep-P Fr= 1--      0.2618                 0.0269                 0.6926
  Dep-U Fr= 1--      0.4150                 0.0524                 0.8184
 Alpha2 Fr= 1--      0.8895                 4.8603                 0.0128
 Beta2  Fr= 1--      5.3659                 2.0344                 1.7384
 AlphaG Fr= 1--     -0.5376                 1.2821                 0.0418
 Gamma2 Fr= 1--      9.3949                -4.6428                 3.8341
 Delta2 Fr= 1--     -3.3091                -7.3551                 1.6110
 Raman1 Fr= 1--     310.347                931.814                 50.978
 ROA1   Fr= 1--     796.020               -681.071                419.624
 CID1   Fr= 1--       2.565                 -0.731                  8.231
 Raman2 Fr= 1--      64.391                 24.413                 20.860
 ROA2   Fr= 1--     251.950                -52.586                 79.130
 CID2   Fr= 1--       3.913                 -2.154                  3.793
 Raman3 Fr= 1--     128.782                 48.825                 41.721
 ROA3   Fr= 1--     796.020               -681.071                419.624
 CID3   Fr= 1--       6.181                -13.949                 10.058
 RC180  Fr= 1--      -0.170                 -0.895                  0.637
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00   0.00     0.00   0.00   0.00    -0.06  -0.02  -0.04
     2   6     0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
     3   6    -0.00  -0.02  -0.07     0.00   0.01   0.02     0.00   0.00   0.00
     4   6    -0.00   0.00   0.01     0.00   0.00  -0.00     0.00  -0.00  -0.00
     5   6     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     6   6     0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
     7   8    -0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
     8   6     0.01  -0.00   0.00    -0.00   0.01  -0.01     0.04   0.01   0.04
     9   6     0.01   0.00   0.01     0.00  -0.00  -0.01    -0.00   0.00   0.00
    10   6    -0.00  -0.02   0.01     0.00  -0.06   0.02     0.00  -0.00  -0.00
    11   6     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
    12   1    -0.18  -0.03   0.00     0.05   0.00  -0.00     0.04   0.01   0.00
    13   1     0.06  -0.02  -0.13    -0.06   0.02   0.16     0.01  -0.00  -0.03
    14   1     0.06   0.20   0.88    -0.02  -0.06  -0.26    -0.00  -0.01  -0.05
    15   1    -0.10   0.14   0.07    -0.37   0.51   0.24    -0.03   0.04   0.02
    16   1     0.15   0.07  -0.20     0.37   0.18  -0.50     0.01   0.00  -0.01
    17   1     0.02  -0.01  -0.02    -0.01   0.01   0.01     0.01  -0.02  -0.04
    18   1    -0.02   0.01  -0.01     0.00  -0.00   0.00     0.44  -0.22   0.26
    19   1     0.02   0.03   0.02    -0.01  -0.02  -0.02     0.24   0.42   0.28
    20   1    -0.01  -0.01   0.01    -0.02  -0.05   0.04     0.02   0.01  -0.00
    21   1     0.00   0.00   0.00    -0.01  -0.02  -0.02    -0.17  -0.32  -0.22
    22   1    -0.06   0.03  -0.04     0.08  -0.04   0.05    -0.34   0.16  -0.20
    23   1     0.00  -0.02  -0.07    -0.00   0.00   0.00    -0.00   0.00   0.01
    24   1     0.00  -0.01  -0.02    -0.00   0.00   0.01    -0.00   0.00   0.00
    25   1    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.01  -0.00
    26   1     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.01
    27   1    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00   0.00  -0.00
                     67                     68                     69
                      A                      A                      A
 Frequencies --   3081.4371              3083.7010              3088.4286
 Red. masses --      1.0984                 1.1010                 1.1009
 Frc consts  --      6.1451                 6.1683                 6.1871
 IR Inten    --      8.9948                52.1863                32.8646
 RamAct Fr= 1--     63.9397               160.2372                62.6533
  Dep-P Fr= 1--      0.7484                 0.7204                 0.7400
  Dep-U Fr= 1--      0.8561                 0.8375                 0.8506
 Alpha2 Fr= 1--      0.0017                 0.0815                 0.0107
 Beta2  Fr= 1--      9.1234                22.3668                 8.8817
 AlphaG Fr= 1--     -0.0221                 0.2156                -0.0495
 Gamma2 Fr= 1--     -1.5679                -1.7137                 6.0118
 Delta2 Fr= 1--      1.2086                11.0578                -4.4215
 Raman1 Fr= 1--     255.759                640.949                250.613
 ROA1   Fr= 1--    -111.844                189.330                435.641
 CID1   Fr= 1--      -0.437                  0.295                  1.738
 Raman2 Fr= 1--     109.481                268.401                106.581
 ROA2   Fr= 1--     -47.299               -129.592                179.654
 CID2   Fr= 1--      -0.432                 -0.483                  1.686
 Raman3 Fr= 1--     218.962                536.803                213.162
 ROA3   Fr= 1--    -111.844                189.330                435.641
 CID3   Fr= 1--      -0.511                  0.353                  2.044
 RC180  Fr= 1--       0.712                  0.675                  0.701
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00   0.00    -0.04  -0.01  -0.03    -0.00   0.00   0.00
     2   6     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00  -0.00   0.00
     3   6    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
     4   6    -0.00   0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
     5   6    -0.00   0.00  -0.00     0.00   0.00   0.00     0.00   0.00  -0.00
     6   6     0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     7   8     0.00  -0.00   0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
     8   6     0.00   0.00   0.00    -0.05  -0.02  -0.05    -0.01  -0.08   0.04
     9   6    -0.00  -0.00   0.00     0.01   0.00  -0.00     0.01   0.00  -0.01
    10   6    -0.00  -0.00   0.00    -0.00   0.00   0.00     0.00  -0.01  -0.00
    11   6     0.02  -0.09   0.03     0.00  -0.00   0.00     0.00  -0.00   0.00
    12   1     0.00   0.00  -0.00    -0.04  -0.00   0.00    -0.06  -0.01  -0.00
    13   1     0.00  -0.00  -0.00    -0.02   0.01   0.05    -0.03   0.01   0.07
    14   1    -0.00  -0.00  -0.00     0.00   0.01   0.04    -0.00  -0.01  -0.04
    15   1    -0.00   0.00   0.00     0.02  -0.03  -0.01    -0.06   0.08   0.04
    16   1     0.00   0.00  -0.00     0.00   0.00   0.00     0.01   0.00  -0.02
    17   1    -0.00   0.00   0.00     0.02  -0.02  -0.03     0.04  -0.02  -0.04
    18   1    -0.00   0.00  -0.00     0.34  -0.17   0.21     0.00  -0.00   0.00
    19   1     0.00   0.00   0.00     0.19   0.32   0.21    -0.01  -0.01  -0.01
    20   1    -0.00  -0.00   0.00    -0.02  -0.02   0.00     0.26   0.60  -0.54
    21   1    -0.01  -0.01  -0.01     0.22   0.41   0.29     0.16   0.26   0.21
    22   1    -0.01   0.00  -0.00     0.44  -0.21   0.26    -0.28   0.11  -0.16
    23   1     0.00  -0.00   0.00    -0.00  -0.00  -0.01    -0.00   0.00   0.01
    24   1     0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
    25   1    -0.10   0.65   0.25    -0.00   0.01   0.00    -0.00   0.00   0.00
    26   1    -0.08   0.40  -0.58    -0.00   0.01  -0.01    -0.00   0.00  -0.00
    27   1     0.00  -0.02   0.01     0.00  -0.00  -0.00    -0.00  -0.00   0.00
                     70                     71                     72
                      A                      A                      A
 Frequencies --   3092.9883              3102.3552              3117.8925
 Red. masses --      1.1084                 1.0997                 1.1078
 Frc consts  --      6.2473                 6.2359                 6.3448
 IR Inten    --     16.8636                24.8932                39.5229
 RamAct Fr= 1--     67.8677                52.0494               105.8259
  Dep-P Fr= 1--      0.6562                 0.7479                 0.6252
  Dep-U Fr= 1--      0.7924                 0.8557                 0.7694
 Alpha2 Fr= 1--      0.1139                 0.0019                 0.2407
 Beta2  Fr= 1--      8.9631                 7.4235                13.5707
 AlphaG Fr= 1--     -0.0862                -0.0040                 0.1433
 Gamma2 Fr= 1--    -25.7415                 7.6460                28.1790
 Delta2 Fr= 1--    -14.3458                -3.1114                18.4770
 Raman1 Fr= 1--     271.471                208.198                423.304
 ROA1   Fr= 1--   -2930.252                634.452               3296.449
 CID1   Fr= 1--     -10.794                  3.047                  7.787
 Raman2 Fr= 1--     107.558                 89.082                162.848
 ROA2   Fr= 1--    -503.031                208.395                528.480
 CID2   Fr= 1--      -4.677                  2.339                  3.245
 Raman3 Fr= 1--     215.115                178.164                325.697
 ROA3   Fr= 1--   -2930.252                634.452               3296.449
 CID3   Fr= 1--     -13.622                  3.561                 10.121
 RC180  Fr= 1--       0.585                  0.711                  0.539
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.01  -0.01     0.05  -0.05  -0.05     0.00  -0.00  -0.00
     2   6    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
     3   6     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.01
     4   6    -0.00   0.00   0.00    -0.00   0.00   0.01    -0.00   0.00   0.01
     5   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     6   6     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
     7   8    -0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     8   6    -0.01  -0.01  -0.00    -0.00  -0.00   0.00     0.00   0.01  -0.00
     9   6    -0.07  -0.00   0.05     0.01   0.00  -0.01     0.03  -0.00  -0.02
    10   6     0.02  -0.02  -0.02    -0.01   0.00   0.01     0.06  -0.02  -0.06
    11   6    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
    12   1     0.65   0.09   0.01    -0.09  -0.01  -0.00    -0.24  -0.03  -0.01
    13   1     0.22  -0.08  -0.57    -0.03   0.01   0.09    -0.10   0.04   0.27
    14   1     0.00   0.01   0.04    -0.00  -0.00  -0.01     0.01   0.01   0.06
    15   1    -0.17   0.25   0.11     0.04  -0.07  -0.03    -0.32   0.47   0.20
    16   1    -0.12  -0.06   0.16     0.04   0.02  -0.05    -0.38  -0.20   0.52
    17   1    -0.09   0.05   0.10    -0.57   0.31   0.60    -0.03   0.01   0.03
    18   1    -0.03   0.02  -0.02    -0.19   0.09  -0.14    -0.01   0.00  -0.01
    19   1     0.03   0.04   0.02     0.16   0.23   0.15     0.01   0.01   0.01
    20   1     0.02   0.04  -0.04     0.01   0.03  -0.03    -0.02  -0.05   0.05
    21   1     0.04   0.07   0.05     0.01   0.01   0.01    -0.01  -0.02  -0.02
    22   1     0.04  -0.02   0.02    -0.03   0.01  -0.01     0.01  -0.00   0.01
    23   1     0.00  -0.00  -0.01     0.01  -0.03  -0.10     0.00  -0.04  -0.11
    24   1     0.00   0.00   0.00    -0.00   0.00   0.00     0.00   0.00   0.00
    25   1    -0.00   0.00   0.00     0.00   0.00   0.00    -0.00   0.00   0.00
    26   1    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    27   1     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
                     73                     74                     75
                      A                      A                      A
 Frequencies --   3138.0357              3145.2780              3150.3690
 Red. masses --      1.0887                 1.1005                 1.0884
 Frc consts  --      6.3165                 6.4143                 6.3643
 IR Inten    --      1.7773                11.5884                16.1236
 RamAct Fr= 1--     58.0592                92.9935                39.4514
  Dep-P Fr= 1--      0.2105                 0.5233                 0.4101
  Dep-U Fr= 1--      0.3478                 0.6871                 0.5817
 Alpha2 Fr= 1--      0.7667                 0.4100                 0.2817
 Beta2  Fr= 1--      3.3652                10.6488                 3.8248
 AlphaG Fr= 1--     -0.2235                -0.1542                 0.2932
 Gamma2 Fr= 1--      1.4556                -0.3785                -0.7455
 Delta2 Fr= 1--      1.2360                -0.1175                -1.1267
 Raman1 Fr= 1--     232.237                371.974                157.806
 ROA1   Fr= 1--     179.289                -40.095               -107.626
 CID1   Fr= 1--       0.772                 -0.108                 -0.682
 Raman2 Fr= 1--      40.383                127.786                 45.897
 ROA2   Fr= 1--      25.046                 -8.143                 -8.879
 CID2   Fr= 1--       0.620                 -0.064                 -0.193
 Raman3 Fr= 1--      80.765                255.572                 91.795
 ROA3   Fr= 1--     179.289                -40.095               -107.626
 CID3   Fr= 1--       2.220                 -0.157                 -1.172
 RC180  Fr= 1--      -0.304                  0.374                  0.163
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.00  -0.01     0.00  -0.00  -0.00     0.00  -0.00  -0.00
     2   6     0.00  -0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
     3   6    -0.00  -0.00  -0.01    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     4   6     0.00  -0.02  -0.08     0.00  -0.00  -0.00     0.00  -0.01  -0.02
     5   6     0.00   0.01   0.02    -0.00  -0.00  -0.01    -0.00  -0.02  -0.08
     6   6     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
     7   8     0.00   0.00   0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
     8   6    -0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     9   6     0.00  -0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
    10   6     0.01  -0.00  -0.01     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    11   6     0.00   0.00   0.00    -0.06   0.01   0.06     0.01  -0.00  -0.01
    12   1    -0.02  -0.00  -0.00    -0.00  -0.00  -0.00    -0.01  -0.00   0.00
    13   1    -0.02   0.01   0.05    -0.00   0.00   0.00    -0.01   0.00   0.01
    14   1     0.00   0.02   0.07    -0.00   0.00   0.01    -0.00   0.01   0.05
    15   1    -0.04   0.06   0.02    -0.00   0.00   0.00    -0.01   0.01   0.00
    16   1    -0.03  -0.02   0.04    -0.00  -0.00   0.00    -0.01  -0.00   0.01
    17   1    -0.06   0.03   0.07    -0.00   0.00   0.00    -0.02   0.01   0.02
    18   1    -0.01   0.01  -0.01    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    19   1     0.01   0.02   0.01     0.00   0.00   0.00     0.00   0.01   0.00
    20   1    -0.00  -0.01   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    21   1    -0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    22   1     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    23   1    -0.05   0.28   0.90    -0.00   0.01   0.04    -0.01   0.08   0.25
    24   1     0.00  -0.08  -0.26     0.00   0.05   0.15     0.00   0.28   0.90
    25   1     0.00  -0.00  -0.00     0.03  -0.23  -0.07    -0.01   0.05   0.02
    26   1    -0.00   0.00  -0.00    -0.04   0.15  -0.19     0.01  -0.03   0.04
    27   1    -0.00  -0.00   0.00     0.75  -0.03  -0.52    -0.12   0.01   0.08

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  6 and mass  12.00000
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  8 and mass  15.99491
 Atom     8 has atomic number  6 and mass  12.00000
 Atom     9 has atomic number  6 and mass  12.00000
 Atom    10 has atomic number  6 and mass  12.00000
 Atom    11 has atomic number  6 and mass  12.00000
 Atom    12 has atomic number  1 and mass   1.00783
 Atom    13 has atomic number  1 and mass   1.00783
 Atom    14 has atomic number  1 and mass   1.00783
 Atom    15 has atomic number  1 and mass   1.00783
 Atom    16 has atomic number  1 and mass   1.00783
 Atom    17 has atomic number  1 and mass   1.00783
 Atom    18 has atomic number  1 and mass   1.00783
 Atom    19 has atomic number  1 and mass   1.00783
 Atom    20 has atomic number  1 and mass   1.00783
 Atom    21 has atomic number  1 and mass   1.00783
 Atom    22 has atomic number  1 and mass   1.00783
 Atom    23 has atomic number  1 and mass   1.00783
 Atom    24 has atomic number  1 and mass   1.00783
 Atom    25 has atomic number  1 and mass   1.00783
 Atom    26 has atomic number  1 and mass   1.00783
 Atom    27 has atomic number  1 and mass   1.00783
 Molecular mass:   152.12012 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --   799.028963580.371193676.58511
           X            0.99991   0.00265   0.01295
           Y           -0.00263   1.00000  -0.00120
           Z           -0.01295   0.00117   0.99992
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.10840     0.02419     0.02356
 Rotational constants (GHZ):           2.25867     0.50407     0.49087
 Zero-point vibrational energy     621656.6 (Joules/Mol)
                                  148.57950 (Kcal/Mol)
 Warning -- explicit consideration of  18 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:     52.79    93.25   105.95   166.49   202.40
          (Kelvin)            218.39   314.08   352.06   376.30   392.49
                              480.36   516.50   522.32   597.19   633.58
                              700.75   846.08   889.94   902.89  1050.51
                             1188.19  1238.05  1259.88  1287.54  1335.89
                             1363.13  1375.21  1381.93  1412.24  1433.68
                             1475.97  1492.67  1508.88  1518.06  1659.86
                             1701.56  1731.66  1748.62  1774.55  1790.38
                             1815.67  1837.65  1858.09  1881.00  1926.62
                             1982.60  2003.46  2022.79  2047.94  2107.63
                             2121.25  2133.95  2137.54  2147.45  2160.81
                             2165.99  2171.47  2408.74  2534.99  4345.89
                             4354.10  4358.97  4391.27  4396.48  4416.75
                             4428.44  4433.50  4436.76  4443.56  4450.12
                             4463.60  4485.95  4514.93  4525.35  4532.68
 
 Zero-point correction=                           0.236777 (Hartree/Particle)
 Thermal correction to Energy=                    0.249324
 Thermal correction to Enthalpy=                  0.250268
 Thermal correction to Gibbs Free Energy=         0.197657
 Sum of electronic and zero-point Energies=           -465.873494
 Sum of electronic and thermal Energies=              -465.860947
 Sum of electronic and thermal Enthalpies=            -465.860003
 Sum of electronic and thermal Free Energies=         -465.912614
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  156.453             46.447            110.730
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             40.968
 Rotational               0.889              2.981             30.732
 Vibrational            154.676             40.486             39.030
 Vibration     1          0.594              1.982              5.430
 Vibration     2          0.597              1.971              4.305
 Vibration     3          0.599              1.966              4.054
 Vibration     4          0.608              1.936              3.171
 Vibration     5          0.615              1.913              2.795
 Vibration     6          0.619              1.901              2.650
 Vibration     7          0.646              1.813              1.973
 Vibration     8          0.660              1.772              1.768
 Vibration     9          0.669              1.743              1.651
 Vibration    10          0.676              1.723              1.578
 Vibration    11          0.715              1.608              1.241
 Vibration    12          0.734              1.557              1.126
 Vibration    13          0.737              1.548              1.109
 Vibration    14          0.778              1.438              0.909
 Vibration    15          0.800              1.382              0.825
 Vibration    16          0.843              1.279              0.691
 Vibration    17          0.945              1.057              0.471
 Vibration    18          0.978              0.993              0.419
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.121392D-90        -90.915808       -209.341385
 Total V=0       0.985665D+18         17.993730         41.432093
 Vib (Bot)       0.141790-104       -104.848355       -241.422260
 Vib (Bot)    1  0.564095D+01          0.751352          1.730052
 Vib (Bot)    2  0.318447D+01          0.503037          1.158284
 Vib (Bot)    3  0.279924D+01          0.447041          1.029349
 Vib (Bot)    4  0.176774D+01          0.247419          0.569704
 Vib (Bot)    5  0.144517D+01          0.159920          0.368229
 Vib (Bot)    6  0.133516D+01          0.125532          0.289048
 Vib (Bot)    7  0.906783D+00         -0.042497         -0.097852
 Vib (Bot)    8  0.799603D+00         -0.097126         -0.223640
 Vib (Bot)    9  0.742082D+00         -0.129548         -0.298296
 Vib (Bot)   10  0.707439D+00         -0.150311         -0.346103
 Vib (Bot)   11  0.558311D+00         -0.253124         -0.582840
 Vib (Bot)   12  0.510920D+00         -0.291647         -0.671543
 Vib (Bot)   13  0.503874D+00         -0.297678         -0.685429
 Vib (Bot)   14  0.424627D+00         -0.371992         -0.856544
 Vib (Bot)   15  0.392455D+00         -0.406210         -0.935333
 Vib (Bot)   16  0.341310D+00         -0.466851         -1.074964
 Vib (Bot)   17  0.257035D+00         -0.590007         -1.358541
 Vib (Bot)   18  0.236792D+00         -0.625634         -1.440575
 Vib (V=0)       0.115128D+05          4.061182          9.351218
 Vib (V=0)    1  0.616306D+01          0.789797          1.818574
 Vib (V=0)    2  0.372348D+01          0.570949          1.314659
 Vib (V=0)    3  0.334355D+01          0.524207          1.207032
 Vib (V=0)    4  0.233710D+01          0.368676          0.848909
 Vib (V=0)    5  0.202922D+01          0.307330          0.707654
 Vib (V=0)    6  0.192571D+01          0.284590          0.655294
 Vib (V=0)    7  0.153550D+01          0.186249          0.428854
 Vib (V=0)    8  0.144306D+01          0.159285          0.366767
 Vib (V=0)    9  0.139481D+01          0.144515          0.332758
 Vib (V=0)   10  0.136630D+01          0.135545          0.312104
 Vib (V=0)   11  0.124947D+01          0.096727          0.222722
 Vib (V=0)   12  0.121487D+01          0.084530          0.194637
 Vib (V=0)   13  0.120985D+01          0.082732          0.190497
 Vib (V=0)   14  0.115598D+01          0.062950          0.144947
 Vib (V=0)   15  0.113563D+01          0.055236          0.127185
 Vib (V=0)   16  0.110539D+01          0.043514          0.100195
 Vib (V=0)   17  0.106220D+01          0.026206          0.060341
 Vib (V=0)   18  0.105324D+01          0.022526          0.051867
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.737452D+08          7.867734         18.116127
 Rotational      0.116095D+07          6.064813         13.964748
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6          -0.000004807    0.000003208    0.000001796
      2        6           0.000012206    0.000002675   -0.000008426
      3        6          -0.000016537   -0.000001790    0.000008671
      4        6          -0.000000905    0.000000232   -0.000001319
      5        6          -0.000010355    0.000001729   -0.000002632
      6        6           0.000007774    0.000005198    0.000002837
      7        8           0.000001680   -0.000000345   -0.000003986
      8        6           0.000001780   -0.000002563   -0.000006244
      9        6          -0.000011527    0.000004764   -0.000000858
     10        6           0.000015185   -0.000007969    0.000002242
     11        6           0.000003111   -0.000004414   -0.000012246
     12        1          -0.000003612   -0.000001260   -0.000001459
     13        1          -0.000003177   -0.000001901    0.000000431
     14        1           0.000005451   -0.000000307    0.000002442
     15        1          -0.000000249   -0.000004247    0.000001284
     16        1           0.000000007    0.000000079   -0.000001757
     17        1           0.000000653   -0.000001257   -0.000001023
     18        1          -0.000000564    0.000001054    0.000000739
     19        1           0.000002772    0.000003426    0.000002259
     20        1          -0.000000546    0.000000310    0.000004049
     21        1          -0.000000536    0.000002522    0.000005005
     22        1          -0.000001380   -0.000000622    0.000001115
     23        1           0.000004011   -0.000002699   -0.000001481
     24        1          -0.000000966   -0.000000967    0.000002267
     25        1          -0.000000327    0.000003181    0.000003577
     26        1           0.000000452    0.000001123    0.000004088
     27        1           0.000000404    0.000000841   -0.000001372
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000016537 RMS     0.000004688
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.176284D+03  0.566344D+01  0.259876D+01
      2   0.566344D+01  0.109246D+03  0.316030D+01
      3   0.259876D+01  0.316030D+01  0.113212D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1  -0.723156D+01 -0.813187D+01  0.539689D+01
      2   0.351807D+02 -0.906039D+01  0.328226D+01
      3   0.263305D+02 -0.403960D+02  0.144689D+02
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1  -0.892864D+02 -0.279010D+02 -0.270193D+01
      2   0.757562D+02  0.528988D+01  0.905342D+01
      3   0.135302D+02  0.226111D+02 -0.635149D+01
      4  -0.403628D+02  0.954342D+02 -0.271841D+02
      5  -0.334582D+02 -0.293544D+02  0.454088D+01
      6  -0.138857D+02 -0.182689D+02 -0.124669D+02
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    81 ND12= 1 LenFil=    2919:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.370384D+01  0.230196D+01 -0.397945D+01  0.151383D+01  0.413454D+00
      2   0.230196D+01  0.264094D+00  0.394465D+01  0.413454D+00  0.315115D+01
      3  -0.397945D+01  0.394465D+01  0.192460D+00  0.389227D+01  0.168646D+01
                 6             7             8             9            10 
      1   0.389227D+01 -0.428922D+01  0.394459D+01  0.299773D+00  0.265125D+02
      2   0.168646D+01  0.394459D+01  0.217989D+01  0.922716D-01 -0.419801D+01
      3  -0.812297D+00  0.299773D+00  0.922716D-01 -0.205215D+01  0.375141D+01
                11            12            13            14            15 
      1  -0.419801D+01  0.375141D+01 -0.990264D+01  0.281343D+01 -0.424532D+01
      2   0.619586D+00 -0.350817D+01  0.281343D+01 -0.435693D+01 -0.293233D+01
      3  -0.350817D+01 -0.699081D+00 -0.424532D+01 -0.293233D+01 -0.325420D+00
                16            17            18            19            20 
      1   0.193964D+02 -0.510145D+01  0.141914D+00 -0.508248D+02 -0.635615D+00
      2  -0.510145D+01 -0.267867D+01 -0.896450D-01 -0.635615D+00 -0.447956D+01
      3   0.141914D+00 -0.896450D-01  0.807959D+00 -0.125437D+01  0.111749D+01
                21            22            23            24            25 
      1  -0.125437D+01  0.656139D+01 -0.104365D+02  0.237268D+01 -0.810087D+01
      2   0.111749D+01 -0.104365D+02 -0.138783D+01 -0.805882D+00  0.204825D+01
      3  -0.185431D-03  0.237268D+01 -0.805882D+00  0.233260D+01  0.474295D+00
                26            27            28            29            30 
      1   0.204825D+01  0.474295D+00  0.674917D+02  0.381388D+01 -0.518410D+00
      2  -0.137065D+01  0.228836D+01  0.381388D+01  0.306284D+01 -0.551266D+00
      3   0.228836D+01  0.472062D+01 -0.518410D+00 -0.551266D+00  0.147627D+01
                31            32            33            34            35 
      1   0.117960D+02  0.706089D+01 -0.211693D+01  0.809372D+01 -0.638122D+00
      2   0.706089D+01  0.305365D+01 -0.181312D+00 -0.638122D+00  0.836272D+00
      3  -0.211693D+01 -0.181312D+00 -0.129266D+01  0.173706D+01 -0.163183D+01
                36            37            38            39            40 
      1   0.173706D+01 -0.589938D+02 -0.324994D+01  0.336571D+01 -0.128512D+02
      2  -0.163183D+01 -0.324994D+01 -0.174573D+01  0.752916D+00 -0.469812D+01
      3  -0.339614D+01  0.336571D+01  0.752916D+00 -0.123249D+01  0.157027D+01
                41            42            43            44            45 
      1  -0.469812D+01  0.157027D+01 -0.115996D+02 -0.667358D+00 -0.381354D+01
      2  -0.230850D+01 -0.794278D+00 -0.667358D+00 -0.155077D+01  0.174741D+01
      3  -0.794278D+00  0.201038D+01 -0.381354D+01  0.174741D+01  0.301815D+01
                46            47            48            49            50 
      1   0.178836D+02  0.908207D+00 -0.277779D+01 -0.621871D+01 -0.897412D+00
      2   0.908207D+00 -0.755929D+00  0.101281D+00 -0.897412D+00 -0.609354D+00
      3  -0.277779D+01  0.101281D+00 -0.513606D+00  0.312333D+01 -0.681922D+00
                51            52            53            54            55 
      1   0.312333D+01 -0.298972D+02  0.865744D+00  0.944988D+01 -0.495469D+01
      2  -0.681922D+00  0.865744D+00  0.922560D-01 -0.933838D+00  0.617556D+00
      3  -0.175960D+01  0.944988D+01 -0.933838D+00 -0.645161D+01  0.248491D+01
                56            57            58            59            60 
      1   0.617556D+00  0.248491D+01  0.924100D+01 -0.191091D+01 -0.298149D+01
      2  -0.329275D+00 -0.455783D+00 -0.191091D+01  0.179758D+01  0.294387D+01
      3  -0.455783D+00 -0.107954D+01 -0.298149D+01  0.294387D+01  0.166442D+01
                61            62            63            64            65 
      1   0.300020D+02 -0.266356D+00 -0.108732D+02 -0.942414D+01  0.256744D+01
      2  -0.266356D+00  0.155174D+01  0.119260D+01  0.256744D+01 -0.626379D-01
      3  -0.108732D+02  0.119260D+01  0.114549D+02 -0.252612D+01  0.406157D+01
                66            67            68            69            70 
      1  -0.252612D+01  0.346716D+01 -0.136938D+01  0.387083D+01 -0.839448D+01
      2   0.406157D+01 -0.136938D+01  0.198552D+01  0.377311D+01  0.434269D+01
      3   0.102621D+01  0.387083D+01  0.377311D+01 -0.899859D+00 -0.108709D+00
                71            72            73            74            75 
      1   0.434269D+01 -0.108709D+00 -0.663128D+01 -0.165108D+01 -0.165333D+01
      2   0.331610D+01 -0.210143D+00 -0.165108D+01  0.196422D+01 -0.496215D+00
      3  -0.210143D+00  0.160071D+01 -0.165333D+01 -0.496215D+00  0.261467D+01
                76            77            78            79            80 
      1  -0.183608D+01  0.272627D+01 -0.658864D+00  0.359027D+00 -0.178352D+00
      2   0.272627D+01  0.519190D+01  0.328923D+01 -0.178352D+00  0.291899D+01
      3  -0.658864D+00  0.328923D+01 -0.851591D+00  0.225331D+01 -0.177225D+01
                81            82            83            84            85 
      1   0.225331D+01  0.857534D+01  0.301321D+01  0.703127D+00  0.598879D+01
      2  -0.177225D+01  0.301321D+01  0.422030D+01  0.316938D+01  0.635502D+01
      3  -0.351369D+01  0.703127D+00  0.316938D+01 -0.284849D+01  0.221365D+01
                86            87            88            89            90 
      1   0.635502D+01  0.221365D+01  0.974142D+01  0.607956D+01 -0.368500D+01
      2  -0.201184D+01 -0.645378D-01  0.607956D+01  0.137198D+00 -0.422416D+00
      3  -0.645378D-01  0.189391D-01 -0.368500D+01 -0.422416D+00  0.786023D+00
                91            92            93            94            95 
      1   0.190473D+01 -0.141793D+01 -0.476424D+01 -0.241918D+01  0.717930D+00
      2  -0.141793D+01 -0.963332D+00 -0.112168D+01  0.717930D+00  0.409908D+01
      3  -0.476424D+01 -0.112168D+01  0.123489D+01 -0.100149D+01  0.370563D+01
                96            97            98            99           100 
      1  -0.100149D+01 -0.738566D+01 -0.921978D+00  0.399474D+01  0.115561D+02
      2   0.370563D+01 -0.921978D+00  0.303095D+01 -0.921901D+00  0.239275D+01
      3  -0.148943D+01  0.399474D+01 -0.921901D+00  0.413180D+01  0.245921D+01
               101           102           103           104           105 
      1   0.239275D+01  0.245921D+01  0.977801D+00  0.153235D+01  0.259577D+00
      2   0.181300D+01  0.617663D+00  0.153235D+01  0.553631D+00  0.146585D+00
      3   0.617663D+00  0.144751D+01  0.259577D+00  0.146585D+00  0.235773D+00
               106           107           108           109           110 
      1   0.408681D+00  0.181251D+00  0.117679D+01 -0.138743D+00  0.447136D+00
      2   0.181251D+00 -0.252005D+00  0.507191D+00  0.447136D+00 -0.871590D+00
      3   0.117679D+01  0.507191D+00  0.107863D+01  0.986614D+00 -0.273625D+00
               111           112           113           114           115 
      1   0.986614D+00  0.100779D+00 -0.116442D+00  0.929799D-01  0.950852D+00
      2  -0.273625D+00 -0.116442D+00  0.425279D+00  0.786763D+00  0.113802D+00
      3  -0.195456D+01  0.929799D-01  0.786763D+00  0.939538D+00  0.110616D+00
               116           117           118           119           120 
      1   0.113802D+00  0.110616D+00 -0.370105D-01 -0.402783D+00 -0.799049D+00
      2   0.170851D+01  0.173345D+01 -0.402783D+00  0.309968D+00 -0.125237D+00
      3   0.173345D+01  0.800555D+01 -0.799049D+00 -0.125237D+00 -0.313150D+00
               121           122           123           124           125 
      1  -0.209490D+01  0.433731D+00 -0.237794D-01 -0.120359D+01  0.654951D-02
      2   0.433731D+00 -0.501860D+00 -0.108169D+01  0.654951D-02 -0.112617D+01
      3  -0.237794D-01 -0.108169D+01 -0.133320D+01  0.132072D+00 -0.788917D+00
               126           127           128           129           130 
      1   0.132072D+00 -0.203531D+01  0.149012D+01  0.521972D-01 -0.446537D+00
      2  -0.788917D+00  0.149012D+01 -0.415658D+01 -0.558296D+00 -0.168449D+01
      3  -0.742278D+01  0.521972D-01 -0.558296D+00 -0.310680D+00 -0.352497D+00
               131           132           133           134           135 
      1  -0.168449D+01 -0.352497D+00  0.101652D+00 -0.749669D+00  0.203249D+00
      2   0.831654D+01  0.656617D+00 -0.749669D+00  0.219397D+01  0.138246D+01
      3   0.656617D+00  0.943424D+00  0.203249D+00  0.138246D+01  0.562082D+00
               136           137           138           139           140 
      1   0.302028D+01  0.161727D+01 -0.187620D+01 -0.399283D+00  0.113395D+01
      2   0.161727D+01  0.168666D+01 -0.150613D+01  0.113395D+01  0.264562D+01
      3  -0.187620D+01 -0.150613D+01  0.229406D+01 -0.107976D+01 -0.163057D+01
               141           142           143           144           145 
      1  -0.107976D+01 -0.521275D+01 -0.280228D+01  0.291421D+01 -0.291527D+01
      2  -0.163057D+01 -0.280228D+01 -0.307678D+01  0.257835D+01  0.420308D+00
      3   0.140556D+01  0.291421D+01  0.257835D+01 -0.442442D+01  0.189767D+01
               146           147           148           149           150 
      1   0.420308D+00  0.189767D+01  0.140324D+01 -0.855745D+00 -0.620374D+00
      2  -0.107356D+01 -0.187674D+00 -0.855745D+00  0.595695D+00  0.257455D+00
      3  -0.187674D+00 -0.243489D+01 -0.620374D+00  0.257455D+00  0.131052D+01
               151           152           153           154           155 
      1   0.156819D+01 -0.523007D+00 -0.190511D+01  0.579263D+01 -0.289649D+01
      2  -0.523007D+00  0.735935D+00 -0.175226D-01 -0.289649D+01  0.296946D+01
      3  -0.190511D+01 -0.175226D-01  0.437655D+01  0.305574D+01 -0.225159D+01
               156           157           158           159           160 
      1   0.305574D+01 -0.142604D+01  0.189697D+01 -0.142803D+01  0.179172D+01
      2  -0.225159D+01  0.189697D+01 -0.287270D+01  0.149506D+01 -0.169892D+01
      3   0.283648D+01 -0.142803D+01  0.149506D+01 -0.125224D+01  0.214734D+01
               161           162           163           164           165 
      1  -0.169892D+01  0.214734D+01 -0.129116D+01 -0.158604D+01 -0.433867D-01
      2   0.143085D+01 -0.189727D+01 -0.158604D+01 -0.255772D+01 -0.600224D+00
      3  -0.189727D+01  0.317781D+01 -0.433867D-01 -0.600224D+00 -0.654123D+00
               166           167           168           169           170 
      1  -0.110726D+01 -0.144105D+01 -0.568357D+00 -0.527570D+00 -0.855993D+00
      2  -0.144105D+01 -0.648780D+01 -0.821411D+00 -0.855993D+00 -0.297414D+01
      3  -0.568357D+00 -0.821411D+00 -0.114281D+01 -0.449371D+00 -0.106358D+01
               171           172           173           174           175 
      1  -0.449371D+00  0.296578D+01  0.763688D+00 -0.132826D+01  0.204385D+01
      2  -0.106358D+01  0.763688D+00  0.715801D+00 -0.103103D+01  0.997270D+00
      3  -0.107152D+01 -0.132826D+01 -0.103103D+01  0.130504D+01 -0.194772D+01
               176           177           178           179           180 
      1   0.997270D+00 -0.194772D+01 -0.146273D+01 -0.115336D+01  0.218912D+01
      2   0.254058D+01 -0.186027D+01 -0.115336D+01 -0.183312D+01  0.153349D+01
      3  -0.186027D+01  0.266576D+01  0.218912D+01  0.153349D+01 -0.411327D+01
               181           182           183           184           185 
      1  -0.214782D+00 -0.783912D+00 -0.203210D+00 -0.140760D+01  0.340808D+00
      2  -0.783912D+00 -0.190957D+01 -0.140574D+01  0.340808D+00 -0.529383D+01
      3  -0.203210D+00 -0.140574D+01 -0.152430D+01 -0.103971D+00 -0.305175D+01
               186           187           188           189           190 
      1  -0.103971D+00 -0.162192D+00 -0.298039D+00  0.149658D+00  0.930419D+01
      2  -0.305175D+01 -0.298039D+00 -0.279920D+01 -0.236731D+01 -0.339982D+01
      3  -0.241993D+01  0.149658D+00 -0.236731D+01 -0.322617D+01  0.117588D+01
               191           192           193           194           195 
      1  -0.339982D+01  0.117588D+01 -0.298351D+01  0.256503D+01 -0.657885D+00
      2   0.201529D+01 -0.716506D+00  0.256503D+01 -0.219023D+01  0.391736D-01
      3  -0.716506D+00  0.121676D+01 -0.657885D+00  0.391736D-01 -0.518756D+00
               196           197           198           199           200 
      1   0.580098D+01 -0.199837D+01  0.134293D+01  0.133357D+01  0.541919D+00
      2  -0.199837D+01  0.109991D+01 -0.619568D+00  0.541919D+00  0.130789D-01
      3   0.134293D+01 -0.619568D+00  0.119444D+01  0.789699D+00 -0.108904D-01
               201           202           203           204           205 
      1   0.789699D+00  0.150332D+01 -0.106894D+01  0.306225D+00  0.209997D+01
      2  -0.108904D-01 -0.106894D+01  0.623754D+00  0.109432D+01  0.632768D+00
      3  -0.566967D-01  0.306225D+00  0.109432D+01  0.116752D+01  0.549714D+00
               206           207           208           209           210 
      1   0.632768D+00  0.549714D+00 -0.145608D+01 -0.618224D+00 -0.121920D+01
      2   0.138953D+01  0.119374D+01 -0.618224D+00 -0.627678D-01 -0.824730D-01
      3   0.119374D+01  0.466822D+01 -0.121920D+01 -0.824730D-01  0.194215D+00
               211           212           213           214           215 
      1  -0.923632D+00  0.245313D+00 -0.729041D+00 -0.189559D+01 -0.547948D+00
      2   0.245313D+00 -0.565668D+00 -0.960234D+00 -0.547948D+00 -0.118973D+01
      3  -0.729041D+00 -0.960234D+00 -0.179591D+01 -0.101369D+01 -0.162605D+01
               216           217           218           219           220 
      1  -0.101369D+01 -0.135562D+01 -0.616762D+00  0.433157D+00 -0.367385D+01
      2  -0.162605D+01 -0.616762D+00  0.599272D+00  0.400786D+00 -0.221642D+01
      3  -0.667506D+01  0.433157D+00  0.400786D+00  0.241806D+00 -0.906312D+00
               221           222           223           224           225 
      1  -0.221642D+01 -0.906312D+00 -0.145369D+01 -0.566008D+00 -0.158296D+01
      2  -0.758853D+01 -0.280216D+01 -0.566008D+00 -0.217758D+01 -0.166890D+01
      3  -0.280216D+01 -0.198030D+01 -0.158296D+01 -0.166890D+01 -0.237769D+01
               226           227           228           229           230 
      1  -0.309856D+01  0.812291D+00 -0.578830D+00  0.258579D+01 -0.131265D+01
      2   0.812291D+00 -0.271758D+00  0.520956D+00 -0.131265D+01  0.158181D+01
      3  -0.578830D+00  0.520956D+00 -0.820101D+00  0.159971D+01 -0.229758D+01
               231           232           233           234           235 
      1   0.159971D+01 -0.395821D+01  0.333117D+00 -0.355491D+01 -0.926533D+01
      2  -0.229758D+01  0.333117D+00 -0.219365D+01  0.175784D+01 -0.251128D+00
      3   0.293646D+01 -0.355491D+01  0.175784D+01 -0.649490D+01  0.236652D+01
               236           237           238           239           240 
      1  -0.251128D+00  0.236652D+01  0.507493D+00 -0.122432D+01  0.120289D+00
      2  -0.101355D+01  0.195845D+00 -0.122432D+01 -0.386712D+00  0.916497D-01
      3   0.195845D+00 -0.163849D+01  0.120289D+00  0.916497D-01  0.243116D+00
               241           242           243 
      1   0.522884D+01  0.418888D+00 -0.228016D+01
      2   0.418888D+00  0.600378D+00  0.239891D-01
      3  -0.228016D+01  0.239891D-01  0.163596D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.562587D+01  0.925575D+01  0.655321D+01  0.882219D+01  0.947376D+01
      2  -0.855804D+01  0.193083D+01  0.770824D+01  0.721178D+01  0.150572D+01
      3  -0.417184D+01 -0.902910D+01  0.168335D+01 -0.272302D+00 -0.622550D+01
                 6             7             8             9            10 
      1  -0.125748D+01  0.631700D+01  0.595045D+01 -0.506723D+01  0.693004D+01
      2  -0.639353D+01  0.316091D+01 -0.620699D+01 -0.404425D+01  0.235730D+02
      3  -0.104303D+02  0.659091D-01 -0.124320D+02 -0.111281D+01  0.127816D+02
                11            12            13            14            15 
      1  -0.566690D+01 -0.501999D+00 -0.977619D+01 -0.539740D+01 -0.557787D+01
      2  -0.956374D+01  0.242876D+01 -0.142809D+02 -0.378286D+01 -0.130551D+01
      3  -0.322414D+01  0.778100D+01  0.629384D+01  0.111478D+02  0.108737D+02
                16            17            18            19            20 
      1   0.585672D+01  0.368833D+01 -0.559372D+00 -0.100154D+01  0.340487D+01
      2   0.698592D+01 -0.650387D+00  0.250640D+01 -0.374452D+02 -0.109223D+01
      3   0.122179D+02  0.110571D+02  0.612891D+00 -0.217809D+02 -0.406340D+01
                21            22            23            24            25 
      1  -0.134339D+01  0.155990D+02  0.433599D+01 -0.189578D+01 -0.594040D+01
      2   0.216337D+01  0.299150D+01 -0.799006D+01  0.398195D+01 -0.183377D+02
      3  -0.219575D+01  0.386177D+01 -0.828937D+01  0.304411D+01 -0.485560D+01
                26            27            28            29            30 
      1   0.510584D+01 -0.385223D+01 -0.484882D+01  0.379589D+00 -0.207580D-01
      2   0.250192D+01  0.241705D+01  0.443842D+02  0.470574D+01 -0.444549D+01
      3   0.923659D+00 -0.854492D+00  0.202096D+02  0.835777D+01 -0.145543D+01
                31            32            33            34            35 
      1  -0.452933D+01 -0.295739D+01 -0.269964D+01  0.254026D+01 -0.121503D+00
      2   0.129016D+02  0.360645D+01 -0.123685D+01 -0.150833D+02 -0.123689D+01
      3   0.375437D+02  0.759390D+01  0.430438D+00 -0.136940D+01 -0.945671D+00
                36            37            38            39            40 
      1   0.332485D+01  0.329606D+01  0.103905D+01 -0.597284D+00  0.726351D+01
      2   0.157009D+01 -0.478339D+02 -0.365485D+01  0.134743D+02 -0.144043D+02
      3  -0.420331D+00 -0.168866D+02 -0.113286D+02  0.157833D+01 -0.101426D+02
                41            42            43            44            45 
      1   0.823046D+00 -0.496489D+01  0.229729D+01 -0.923217D-02  0.806681D+00
      2  -0.242023D+01 -0.122128D+01 -0.148936D+02 -0.384073D+01 -0.691978D+01
      3  -0.576243D+01 -0.874119D+00  0.154620D+00  0.820504D+00  0.921383D+00
                46            47            48            49            50 
      1   0.290787D+00 -0.245484D+01  0.247679D+01  0.746292D+01 -0.373699D+01
      2   0.936275D+01  0.264553D+01 -0.449970D+01 -0.707064D+01  0.163270D+01
      3   0.133699D+01  0.127315D+02 -0.449546D+01  0.239479D+02  0.136309D+01
                51            52            53            54            55 
      1  -0.773764D+01  0.204810D+01 -0.409640D+01  0.230753D+01 -0.148832D+01
      2   0.711625D+01 -0.552306D+02  0.137942D+00  0.309175D+02 -0.111709D+01
      3  -0.148449D+01 -0.663004D+01 -0.103699D+02 -0.103338D+01  0.122444D+00
                56            57            58            59            60 
      1   0.719611D+00 -0.543938D+00 -0.439310D+00  0.269166D+01 -0.149922D+01
      2   0.143271D+01  0.738018D+01  0.101375D+02 -0.867065D+01 -0.855905D+01
      3  -0.736097D+01 -0.256832D+00 -0.621850D+01  0.603497D+01  0.787055D+01
                61            62            63            64            65 
      1  -0.132914D+01  0.916824D+01 -0.393535D+00 -0.536405D+01  0.569046D+01
      2   0.349294D+02 -0.353502D+01 -0.464576D+02 -0.157466D+02  0.162877D+02
      3   0.594648D+01  0.135817D+02  0.226255D+01 -0.222271D+01 -0.425382D+01
                66            67            68            69            70 
      1  -0.479975D+01  0.821847D+01  0.290906D+01 -0.789531D+01 -0.872221D+01
      2   0.216258D+01  0.154009D+02  0.122929D+02  0.204225D+01 -0.121855D+02
      3  -0.113654D+02  0.677734D+01 -0.656445D+01 -0.188264D+02 -0.130042D+02
                71            72            73            74            75 
      1  -0.165756D+01  0.381016D+01 -0.168176D+01  0.595552D+01 -0.483291D+01
      2   0.526934D+01  0.727586D+01  0.800576D+01  0.209502D+01  0.126490D+02
      3  -0.168494D+02  0.113008D+01 -0.166926D+01 -0.133468D+02  0.685379D+00
                76            77            78            79            80 
      1   0.196543D+01  0.107459D+01  0.459618D+01 -0.384239D+01  0.940222D+01
      2   0.368402D+00  0.650731D+01 -0.295916D+01  0.470571D+01 -0.578801D+01
      3  -0.602190D+01 -0.118418D+02 -0.121494D+02  0.191032D+01 -0.111333D+02
                81            82            83            84            85 
      1   0.188635D+01 -0.378783D+01 -0.128624D+02  0.731948D+01 -0.157536D+02
      2  -0.142188D+02  0.916547D+01  0.743772D+01 -0.294512D+01  0.862057D+01
      3   0.917300D+01  0.270860D+01 -0.690934D+01 -0.556046D+01  0.758361D+01
                86            87            88            89            90 
      1   0.677825D+00 -0.353153D+01  0.454292D+01  0.262484D+01 -0.758168D+00
      2   0.488863D+01  0.164732D+01 -0.170133D+01  0.307095D+01 -0.140969D+01
      3   0.157535D+02  0.677321D+01  0.101735D+01  0.129752D+02 -0.860210D+01
                91            92            93            94            95 
      1  -0.318882D+00  0.227417D+01  0.128660D+01 -0.728479D+01 -0.276591D+01
      2   0.197331D+02  0.307141D+01 -0.533929D+01  0.382561D+01 -0.158660D+02
      3  -0.752774D+01 -0.101448D+02 -0.283336D+01  0.165486D+02  0.198657D+02
                96            97            98            99           100 
      1  -0.850077D+01  0.507863D+01 -0.977781D+00  0.376661D+01 -0.855403D+00
      2   0.721956D+01 -0.267411D+02  0.301626D+01 -0.146669D+02 -0.467891D+01
      3   0.210585D+02 -0.460967D+01  0.121923D+02 -0.683003D+01  0.660528D+01
               101           102           103           104           105 
      1   0.190028D+01 -0.175336D+01  0.272077D+00  0.961205D-01 -0.130832D+01
      2  -0.103661D+00  0.520145D+01 -0.672384D+00 -0.805454D+00  0.680254D+00
      3  -0.638860D+01  0.782941D+00 -0.609081D+00  0.331047D-01  0.587713D+00
               106           107           108           109           110 
      1  -0.106480D+01  0.683376D-01 -0.765056D+00 -0.744680D+00 -0.182336D+01
      2   0.135944D+01  0.102976D+01  0.234144D+01  0.408420D+01 -0.117319D+01
      3   0.328402D+00  0.741877D+00 -0.694305D-01 -0.170208D+01  0.214246D+01
               111           112           113           114           115 
      1   0.225302D+01 -0.893217D+00 -0.755417D+00 -0.140377D+01  0.321079D+00
      2  -0.632539D+01 -0.452080D+00  0.283243D+01  0.241016D+01 -0.517788D+01
      3   0.182377D+01  0.217567D+01 -0.793853D+00 -0.178009D+01  0.169588D+01
               116           117           118           119           120 
      1   0.252727D+01 -0.754792D+01  0.101546D+01  0.473398D+00  0.197494D+00
      2   0.437621D+01  0.227543D+02 -0.214755D+01 -0.518442D+00  0.369947D+00
      3  -0.370240D+01 -0.472119D+01  0.376485D+00 -0.118822D+01 -0.462096D+00
               121           122           123           124           125 
      1   0.110681D+01  0.157703D+01  0.422134D+00 -0.193120D+00  0.472132D+01
      2  -0.143854D+01 -0.440480D+00 -0.146180D+01 -0.398581D+01 -0.463466D+00
      3   0.290591D+01  0.379376D+00  0.586204D+00 -0.580766D+00  0.187542D+00
               126           127           128           129           130 
      1   0.372699D+01 -0.795012D+00  0.308317D+01  0.213272D+01  0.144343D+01
      2  -0.687239D+01 -0.798938D+00 -0.737069D+00  0.319032D+00 -0.209348D+01
      3   0.711610D+00 -0.806984D+01  0.920759D+01  0.119283D+01  0.820732D+01
               131           132           133           134           135 
      1  -0.470748D+01 -0.512117D+01  0.109540D-02 -0.269634D+01 -0.243795D+01
      2   0.384685D+00  0.542803D+00 -0.945298D+00  0.186636D+01  0.102086D+01
      3  -0.179144D+02 -0.188176D+01  0.253417D+01 -0.567743D+01 -0.206997D+01
               136           137           138           139           140 
      1   0.364980D+01  0.199353D+01 -0.542937D+01  0.235233D+01  0.207017D+01
      2  -0.690754D+00 -0.176919D+01  0.455309D+01 -0.248848D+01 -0.225449D+01
      3   0.348445D+01 -0.222107D+01 -0.107333D+01 -0.163564D+00 -0.315743D+01
               141           142           143           144           145 
      1  -0.311755D+01 -0.474785D+01 -0.114904D+01  0.953604D+01  0.598645D+01
      2   0.256808D+01 -0.161235D+00  0.287942D+01 -0.620780D+01  0.107421D+02
      3   0.555096D+00 -0.447104D+01  0.140287D+01  0.102396D+01  0.596232D+01
               146           147           148           149           150 
      1  -0.408233D+01 -0.480424D+01 -0.399613D+01  0.286296D+01  0.154754D+01
      2  -0.166935D+01 -0.530757D+01 -0.477083D+01  0.194348D+01  0.275862D+01
      3  -0.637313D+00 -0.349980D+01  0.209342D+00  0.647575D+00  0.104348D+01
               151           152           153           154           155 
      1  -0.512964D+01  0.360034D+01  0.746387D+01  0.185999D+01  0.313599D+00
      2  -0.859053D+01  0.121141D+01  0.881042D+01 -0.208951D+01 -0.116098D+01
      3  -0.357249D+01  0.134806D+01  0.408591D+01 -0.444044D+01 -0.274464D+01
               156           157           158           159           160 
      1   0.326260D+01 -0.667553D-01 -0.114891D+01 -0.205863D+01  0.143270D+01
      2   0.361251D+01  0.206385D+01  0.498456D+00 -0.666322D+00 -0.179776D+01
      3  -0.443418D+00  0.230336D+01  0.270609D+01  0.211291D+00 -0.270160D+01
               161           162           163           164           165 
      1   0.611912D-01  0.389268D+01 -0.241661D+01 -0.459794D+01 -0.337911D+01
      2  -0.746612D+00  0.367492D+01  0.195300D+01  0.145239D+01  0.278068D+00
      3   0.148617D+00 -0.347089D+00  0.782555D+01  0.631406D+01  0.152524D+01
               166           167           168           169           170 
      1  -0.323895D+01 -0.969249D+01 -0.580867D+01 -0.231109D+01 -0.401622D+01
      2   0.997002D+00  0.194488D+01  0.110612D+00 -0.118950D+01  0.899778D-01
      3   0.740759D+01  0.140263D+02  0.248376D+01  0.397948D+01  0.700334D+01
               171           172           173           174           175 
      1  -0.463722D+01 -0.253636D+01 -0.251354D+01  0.252016D+01 -0.271254D+01
      2  -0.277515D+00 -0.149072D+01 -0.241085D+01  0.406153D+01 -0.298495D+01
      3   0.296888D+01 -0.404335D+01 -0.416844D+01  0.471274D+01 -0.335663D+01
               176           177           178           179           180 
      1  -0.740756D+01  0.390262D+01  0.357760D+01  0.635269D+01 -0.559293D+01
      2  -0.543734D+01  0.748252D+01  0.333198D+01  0.405708D+01 -0.114751D+02
      3  -0.109936D+02  0.769457D+01  0.472025D+01  0.815773D+01 -0.691669D+01
               181           182           183           184           185 
      1   0.749485D+00  0.712337D+00 -0.110969D+01  0.333149D-01  0.257057D+01
      2  -0.248300D+01 -0.543467D+01 -0.410168D+01 -0.299625D+01 -0.103959D+02
      3   0.472594D+01  0.619631D+01  0.482439D+01  0.296188D+01  0.170660D+02
               186           187           188           189           190 
      1  -0.218120D+01  0.595539D+00  0.193587D+01 -0.247719D+01  0.490225D+01
      2  -0.834067D+01 -0.175827D+01 -0.840012D+01 -0.102451D+02  0.118383D+02
      3   0.104397D+02  0.256189D+01  0.102181D+02  0.822988D+01  0.535984D+00
               191           192           193           194           195 
      1  -0.273160D+01  0.329131D+01 -0.299379D+01  0.179813D+01 -0.190792D+01
      2  -0.570683D+01  0.830724D+01 -0.492214D+01  0.227613D+01 -0.360478D+01
      3  -0.594108D+01  0.109156D+01 -0.325501D+01  0.540982D+01  0.673890D+00
               196           197           198           199           200 
      1   0.319797D+01 -0.502186D+00  0.243175D+01  0.228214D+00 -0.504373D+00
      2   0.736728D+01 -0.343536D+01  0.628388D+01  0.935469D+00  0.287266D+00
      3   0.233444D+01 -0.267948D+01  0.581023D+00  0.999704D+00  0.973205D-01
               201           202           203           204           205 
      1   0.686816D-01 -0.409282D+01  0.166677D+00 -0.103855D+01  0.425899D+00
      2  -0.587640D+00 -0.161794D+01 -0.219305D+01  0.403777D-02 -0.427513D+01
      3   0.447693D+00  0.460216D+00  0.305067D+00  0.914477D+00  0.229369D+01
               206           207           208           209           210 
      1   0.283951D+01 -0.362207D+01  0.153097D+01  0.636552D-01  0.693291D-02
      2   0.692158D+00 -0.290161D+01  0.128582D+01 -0.363508D+00 -0.766232D+00
      3   0.169224D+01 -0.270971D-01 -0.294106D+01 -0.761335D+00 -0.679906D-01
               211           212           213           214           215 
      1  -0.604739D+01  0.578440D+00  0.231881D+00  0.195615D+01  0.435565D+01
      2   0.171177D+01  0.194546D+01  0.269932D+01 -0.296255D+01  0.250006D+01
      3   0.990885D+01 -0.190606D+00 -0.210517D+01 -0.318261D+01 -0.283882D+01
               216           217           218           219           220 
      1   0.374020D+00 -0.258622D+00 -0.686795D+00 -0.207342D+00  0.234176D+01
      2   0.109270D+02 -0.137996D+01 -0.195598D+01  0.639739D+00 -0.697597D+00
      3  -0.322282D+01  0.631603D+00  0.311695D+01  0.216979D+01 -0.882258D+01
               221           222           223           224           225 
      1   0.597071D+01 -0.126712D-01  0.168674D+00  0.219522D+01  0.157098D+00
      2   0.993071D+01  0.750783D+01  0.407912D+01  0.635995D+01  0.810535D+01
      3  -0.340263D+02 -0.132814D+02 -0.148178D+01 -0.959099D+01 -0.732158D+01
               226           227           228           229           230 
      1  -0.332962D+00  0.603965D+00 -0.931392D+00  0.266260D+01 -0.305143D+01
      2  -0.456140D+00 -0.148982D+01  0.420002D+01 -0.492473D+01  0.886420D+01
      3   0.159193D+01 -0.291792D+01  0.229811D+01 -0.903301D+01  0.724807D+01
               231           232           233           234           235 
      1   0.275266D+01 -0.296103D+01  0.435724D+01 -0.493787D+01  0.161723D+01
      2  -0.121352D+02  0.102203D+02 -0.750339D+01  0.251880D+02 -0.168473D+02
      3  -0.116193D+02  0.509387D+01 -0.952154D+01  0.108767D+02  0.272582D+01
               236           237           238           239           240 
      1   0.611081D-01 -0.111448D+01  0.981390D+00  0.364527D+00 -0.540211D+00
      2  -0.962251D+00  0.114149D+02 -0.415184D+00 -0.797710D+00 -0.887462D+00
      3  -0.615694D+01 -0.468358D+00 -0.305956D+01 -0.989100D+00  0.491363D+00
               241           242           243 
      1  -0.128431D+01  0.894342D+00  0.744738D+00
      2   0.107350D+02 -0.833508D-01 -0.939621D+01
      3  -0.395464D+00  0.328992D+01  0.971126D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.918605D+01  0.753593D+01 -0.655015D+01  0.332929D+01  0.373355D+01
      2  -0.261296D+01 -0.168502D+02 -0.881122D+01 -0.115591D+02 -0.145750D+02
      3  -0.657309D+01  0.931431D+01  0.153614D+02  0.822977D+01  0.108415D+02
      4   0.150027D+02 -0.979050D+01  0.234177D+02 -0.653906D+01  0.812525D+01
      5  -0.184576D+02  0.195199D+02 -0.913586D+01  0.190901D+02  0.338128D+01
      6   0.151299D+02 -0.164320D+02  0.840128D+01 -0.110813D+02 -0.639951D+01
                 6             7             8             9            10 
      1   0.215861D+02 -0.680795D+01  0.215514D+02  0.239495D+01 -0.542091D+01
      2  -0.159601D+02 -0.952057D+01 -0.186818D+02  0.380844D+01  0.138953D+02
      3  -0.562605D+01  0.163285D+02 -0.286961D+01 -0.620338D+01 -0.847436D+01
      4  -0.684904D+01  0.239610D+02 -0.952318D+01  0.265952D+01 -0.190342D+02
      5   0.553525D+01 -0.844227D+01  0.889636D+01 -0.668866D+01  0.130240D+02
      6   0.342557D+01  0.691668D+01  0.197349D+01  0.252784D+01 -0.119231D+02
                11            12            13            14            15 
      1  -0.433485D+01  0.701567D+01 -0.929082D+01 -0.943254D+01 -0.214332D+02
      2   0.323896D+01  0.821952D+00  0.459763D+01  0.135820D+02  0.997199D+01
      3   0.109589D+01 -0.783763D+01  0.469319D+01 -0.414941D+01  0.114612D+02
      4   0.432604D+01 -0.196207D+02  0.953303D+01 -0.247379D+02 -0.923101D+01
      5  -0.170706D+02 -0.700172D+01 -0.191620D+02 -0.179448D+02 -0.269124D+00
      6   0.993288D+01 -0.173269D+01 -0.276194D+01  0.115642D+01 -0.638001D+01
                16            17            18            19            20 
      1   0.314599D+01 -0.202507D+02 -0.754528D+01  0.534457D+02  0.956062D+01
      2   0.100949D+02  0.120810D+02 -0.166834D+01 -0.531470D+02 -0.133754D+02
      3  -0.132409D+02  0.816966D+01  0.921362D+01 -0.298704D+00  0.381475D+01
      4  -0.297977D+02 -0.279941D+01  0.339697D+00  0.177449D+01 -0.128317D+02
      5  -0.819609D+01  0.765880D-01  0.339402D+01  0.492777D+01  0.325171D+01
      6  -0.215652D+01 -0.368180D+01 -0.372323D+00  0.998917D+01 -0.219004D+01
                21            22            23            24            25 
      1   0.192862D+01  0.217452D+02  0.625664D+01  0.559761D+01  0.438648D+01
      2  -0.136855D+01 -0.209130D+02 -0.136109D+02  0.197418D+01 -0.814070D+01
      3  -0.560071D+00 -0.832172D+00  0.735422D+01 -0.757179D+01  0.375422D+01
      4   0.465440D+01 -0.383433D+02 -0.458816D+01 -0.245549D+01  0.127170D+02
      5   0.476183D+01  0.269638D+01  0.248059D+01  0.392411D+01  0.533527D+01
      6   0.219753D+01  0.817383D+01  0.543948D+01  0.171864D+01  0.279997D+01
                26            27            28            29            30 
      1   0.897262D+01  0.171877D+02 -0.128483D+03 -0.694888D+01  0.714681D+01
      2  -0.268028D+01  0.691087D+01  0.951789D+02  0.543139D+01 -0.351931D+01
      3  -0.629235D+01 -0.240985D+02  0.333040D+02  0.151749D+01 -0.362750D+01
      4  -0.700588D+01  0.720353D+01  0.375943D+01 -0.742847D+01  0.111470D+01
      5   0.481893D+01  0.620964D+01 -0.541286D+01  0.128815D+01 -0.111762D+02
      6   0.643349D+00  0.715123D-01 -0.150080D+02 -0.500080D+01  0.153612D+01
                31            32            33            34            35 
      1  -0.307688D+02 -0.235668D+02  0.706538D+01 -0.269993D+02  0.230315D+01
      2   0.256065D+02  0.227491D+02 -0.528279D+01  0.172120D+02 -0.318653D+01
      3   0.516235D+01  0.817643D+00 -0.178259D+01  0.978727D+01  0.883376D+00
      4  -0.405474D+01 -0.693536D+01  0.153080D+01 -0.182762D+01  0.156848D+01
      5   0.704293D-01 -0.312146D+00 -0.220070D+01 -0.201725D-01  0.141223D+01
      6  -0.441332D+01 -0.670448D+01  0.416479D+01 -0.139600D+01  0.207176D+00
                36            37            38            39            40 
      1  -0.322361D+01  0.147408D+03  0.106279D+02 -0.935315D+01  0.293918D+02
      2  -0.240990D+01 -0.106058D+03 -0.666378D+01  0.661069D+01 -0.148589D+02
      3   0.563351D+01 -0.413500D+02 -0.396413D+01  0.274246D+01 -0.145328D+02
      4   0.142961D+01 -0.321275D+01  0.144162D+02 -0.353539D+00  0.313633D+02
      5   0.297647D+01 -0.739621D+01 -0.180733D+01  0.201159D+02 -0.442661D+01
      6  -0.496504D+01  0.163827D+02  0.527648D+01 -0.273403D+01  0.112056D+02
                41            42            43            44            45 
      1   0.191691D+01  0.229740D+01  0.321236D+02  0.890114D+01  0.135698D+02
      2   0.338537D+01  0.341146D+01 -0.201458D+02 -0.319134D+01 -0.104798D+01
      3  -0.530228D+01 -0.570886D+01 -0.119779D+02 -0.570980D+01 -0.125219D+02
      4   0.687601D+01  0.381726D+01 -0.150157D+01  0.197612D+01 -0.648940D+01
      5   0.417420D+01 -0.482170D+01  0.259399D+02 -0.467128D+01 -0.964311D+01
      6   0.108915D+01  0.462424D+01 -0.210880D+01  0.281147D+01 -0.543605D+01
                46            47            48            49            50 
      1  -0.554393D+02 -0.546934D+01 -0.111476D+02  0.458129D+01 -0.275817D+01
      2   0.408693D+02 -0.182921D+01  0.250333D+01 -0.823396D+01  0.650045D+01
      3   0.145700D+02  0.729855D+01  0.864423D+01  0.365267D+01 -0.374228D+01
      4  -0.645288D+01 -0.160722D+02 -0.481316D+01  0.251043D+01  0.149726D+01
      5  -0.218071D+01 -0.202986D+01 -0.156021D+02 -0.231993D+02  0.516964D+01
      6  -0.107922D+02 -0.272183D+01 -0.235016D+00  0.210425D+01 -0.466179D+01
                51            52            53            54            55 
      1  -0.878456D+01  0.525361D+02 -0.394108D+01 -0.172881D+02  0.281625D+02
      2   0.969761D+01 -0.486655D+02 -0.133585D+01  0.217804D+02 -0.162637D+02
      3  -0.913050D+00 -0.387055D+01  0.527693D+01 -0.449228D+01 -0.118987D+02
      4   0.646014D+01 -0.239889D+02  0.777771D+01  0.101426D+02 -0.703525D+01
      5   0.826333D+01 -0.601291D+02  0.499872D+01  0.467925D+02 -0.192295D+02
      6   0.377300D+01  0.133100D+02 -0.586203D+01 -0.697018D+01  0.155778D+01
                56            57            58            59            60 
      1  -0.286205D+01 -0.103304D+02 -0.251456D+02 -0.801037D+00  0.341319D+01
      2   0.276397D+01  0.714762D+01  0.161903D+02  0.109372D+01 -0.346708D+01
      3   0.980878D-01  0.318275D+01  0.895535D+01 -0.292678D+00  0.538954D-01
      4   0.123364D+02  0.472473D+01  0.226757D+02 -0.139683D+02 -0.207162D+02
      5   0.383959D+01  0.203235D+02  0.174055D+02 -0.202417D+02 -0.116808D+02
      6  -0.122351D+01 -0.136077D+01 -0.109220D+02  0.761984D+01  0.134927D+02
                61            62            63            64            65 
      1  -0.792969D+02 -0.368296D+01  0.345944D+01 -0.329541D+02  0.202724D+02
      2   0.614200D+02  0.277695D+01 -0.327381D+02  0.751149D+01 -0.424418D+01
      3   0.178770D+02  0.906008D+00  0.292787D+02  0.254426D+02 -0.160283D+02
      4   0.130325D+02 -0.173456D+02 -0.144142D+02  0.242214D+02 -0.661307D+01
      5   0.692080D+02 -0.852781D+01 -0.781687D+02 -0.149659D+02  0.232152D+02
      6  -0.121771D+02  0.144594D+02  0.890599D+01  0.812856D+01 -0.105680D+02
                66            67            68            69            70 
      1  -0.109440D+02  0.147088D+02  0.440723D+01  0.341894D+02 -0.219206D+02
      2  -0.136417D+01  0.184834D+01 -0.252971D+00 -0.254449D+02  0.695614D+00
      3   0.123081D+02 -0.165572D+02 -0.415426D+01 -0.874444D+01  0.212249D+02
      4   0.280802D+02 -0.132413D+02  0.803088D+01  0.132076D+02  0.351404D+02
      5   0.630191D+01  0.234808D+02  0.186939D+02 -0.129065D+02  0.380672D+01
      6  -0.836355D+01 -0.558669D+01 -0.112167D+02 -0.916329D+01 -0.703316D+01
                71            72            73            74            75 
      1   0.356148D+02  0.262686D+01 -0.518417D+02 -0.157954D+02 -0.132060D+02
      2  -0.254413D+02  0.149085D+01  0.221780D+02  0.866370D+01 -0.334373D+01
      3  -0.101735D+02 -0.411771D+01  0.296637D+02  0.713170D+01  0.165497D+02
      4   0.858148D+01 -0.562882D+01 -0.218657D+02  0.167889D+01 -0.357772D+01
      5  -0.965622D+01  0.790305D+01 -0.164253D+02 -0.407274D+01  0.983613D+01
      6  -0.906949D+01 -0.713321D+00 -0.347187D+01 -0.342273D+01  0.572878D+01
                76            77            78            79            80 
      1  -0.139418D+02  0.110691D+02 -0.318938D+01 -0.312742D+01 -0.224073D+01
      2   0.107232D+02 -0.604823D+01  0.996907D+01 -0.551695D+01  0.750214D+01
      3   0.321859D+01 -0.502084D+01 -0.677969D+01  0.864436D+01 -0.526141D+01
      4   0.110567D+02  0.259306D+02  0.143768D+02  0.107385D+00  0.651415D+01
      5  -0.498005D+01  0.219763D+02 -0.439414D+01  0.125011D+02 -0.608501D+01
      6   0.454592D+01  0.943157D+01  0.155683D+01  0.488987D+01 -0.507493D+00
                81            82            83            84            85 
      1   0.219045D+02 -0.132133D+02 -0.108241D+02 -0.908153D+01 -0.124178D+02
      2  -0.134520D+01  0.200284D+02  0.260523D+02  0.141057D+02  0.240699D+02
      3  -0.205593D+02 -0.681510D+01 -0.152283D+02 -0.502422D+01 -0.116522D+02
      4  -0.289949D+01  0.100066D+02  0.986766D+01  0.115547D+02  0.227868D+02
      5  -0.117928D+02  0.298571D+01  0.122943D+02 -0.155162D+02  0.126922D+02
      6  -0.881537D+01  0.182528D+01  0.135329D+02 -0.129924D+02  0.546746D+01
                86            87            88            89            90 
      1   0.114385D+02  0.100157D+02 -0.298102D+02  0.985146D+01 -0.869014D+01
      2  -0.121430D+02 -0.874272D+01  0.326805D+02 -0.764709D+01  0.465231D+01
      3   0.704462D+00 -0.127302D+01 -0.287030D+01 -0.220437D+01  0.403783D+01
      4   0.884693D+01  0.601545D+01  0.235196D+02  0.139377D+02 -0.103968D+02
      5  -0.855937D+00 -0.103734D+01 -0.206364D+02 -0.589099D+01  0.614192D+01
      6  -0.646593D+01 -0.311950D+01 -0.177515D+02 -0.599967D+01  0.788198D+01
                91            92            93            94            95 
      1  -0.201567D+02  0.775676D+01  0.408264D+02  0.179283D+02  0.107500D+02
      2   0.874954D+01 -0.216743D+01 -0.193864D+02 -0.155931D+02 -0.992698D+01
      3   0.114071D+02 -0.558933D+01 -0.214399D+02 -0.233516D+01 -0.823063D+00
      4   0.135129D+02  0.125584D+02  0.117472D+02 -0.754803D+01 -0.302349D+02
      5   0.461321D+02  0.107907D+02 -0.322005D+01  0.129518D+02 -0.281291D+02
      6   0.650560D+01  0.438551D+01  0.260834D+01 -0.402740D+01 -0.102652D+02
                96            97            98            99           100 
      1   0.104433D+02  0.544633D+02  0.896019D+01 -0.223586D+02  0.869533D+02
      2  -0.164579D+02 -0.254180D+02 -0.121770D+02  0.161845D+02 -0.432181D+02
      3   0.601457D+01 -0.290453D+02  0.321681D+01  0.617408D+01 -0.437352D+02
      4  -0.299920D+02  0.118170D+02 -0.225477D+02  0.105555D+02  0.339014D+02
      5   0.176593D+02 -0.278547D+02  0.108720D+02 -0.304077D+02  0.269644D+02
      6  -0.946366D+01  0.359393D+01 -0.574048D+01  0.612431D+01  0.734588D+01
               101           102           103           104           105 
      1   0.146570D+02  0.139868D+02  0.631044D+01  0.754539D+01  0.980861D+00
      2  -0.448946D+01 -0.863058D+01 -0.282376D+00  0.223375D+00 -0.103210D+01
      3  -0.101676D+02 -0.535623D+01 -0.602807D+01 -0.776877D+01  0.512380D-01
      4   0.186631D+02  0.759388D+01  0.158584D+02  0.682127D+01  0.223866D+01
      5   0.647189D+01  0.148910D+02  0.307059D+01  0.174412D+01  0.183084D+01
      6   0.427566D+01  0.403587D+01  0.303476D+01  0.598336D+00  0.220989D+01
               106           107           108           109           110 
      1   0.290946D+01  0.911357D+00  0.563319D+01  0.122135D+01  0.467397D+01
      2  -0.320686D+01 -0.218328D+01 -0.559942D+01 -0.304626D+01 -0.279441D+01
      3   0.297396D+00  0.127192D+01 -0.337679D-01  0.182491D+01 -0.187957D+01
      4   0.222065D+01 -0.812678D+00  0.468418D+01  0.218963D+01 -0.189479D+01
      5   0.121066D+02  0.362310D+01  0.730082D+01  0.349576D+01  0.198197D+00
      6   0.316483D+01  0.188531D+01  0.311330D+01  0.301159D+01 -0.262405D+01
               111           112           113           114           115 
      1   0.105471D+02  0.183465D+01 -0.672832D+01 -0.326146D+01  0.742342D+01
      2   0.259645D+00 -0.131868D+01  0.227738D+01  0.131027D+01 -0.434819D+01
      3  -0.108068D+02 -0.515962D+00  0.445094D+01  0.195119D+01 -0.307523D+01
      4   0.127942D+01  0.130090D+01  0.830168D+00  0.308596D+01  0.341975D+01
      5  -0.348268D+01  0.132202D+01  0.192232D+01  0.371946D+01  0.585066D+01
      6  -0.473297D+01 -0.687503D+00  0.419136D+01  0.923134D+01  0.119395D+01
               116           117           118           119           120 
      1  -0.580535D+01 -0.237835D+02 -0.367512D+00  0.177391D-01 -0.235336D+01
      2   0.570454D+00 -0.123539D+02 -0.383596D+01 -0.251296D+00 -0.600883D+00
      3   0.523489D+01  0.361374D+02  0.420348D+01  0.233557D+00  0.295424D+01
      4   0.748314D+01  0.703742D+01 -0.113739D+01  0.258389D+01 -0.170551D-01
      5   0.797839D+01  0.332110D+02  0.343327D-01  0.980413D+00  0.642191D+01
      6   0.937073D+01  0.197135D+02  0.576792D+00  0.347405D+00 -0.296150D+00
               121           122           123           124           125 
      1   0.104795D+01 -0.637971D+01 -0.403126D+01 -0.188483D+01 -0.131624D+01
      2  -0.741757D+00  0.213236D+01 -0.202542D+01  0.121064D+01 -0.220914D+01
      3  -0.306192D+00  0.424735D+01  0.605667D+01  0.674193D+00  0.352538D+01
      4   0.159435D+01 -0.187298D+01 -0.162219D+01 -0.378177D+00 -0.237152D+01
      5   0.134050D+01 -0.193935D+01 -0.244986D+01  0.557296D+01 -0.178881D+01
      6   0.234708D+00  0.100190D+01  0.625563D+01 -0.746669D+00  0.519907D+01
               126           127           128           129           130 
      1  -0.258362D+02 -0.661087D+01  0.191210D+02  0.251946D+01  0.106329D+02
      2  -0.130895D+02  0.854578D+01 -0.268258D+02 -0.338471D+01 -0.133224D+02
      3   0.389257D+02 -0.193491D+01  0.770479D+01  0.865253D+00  0.268946D+01
      4  -0.354612D+01 -0.417569D+01  0.171724D+01 -0.527764D+00  0.552681D+01
      5  -0.118005D+02  0.487444D+00 -0.114202D+01  0.134699D+01 -0.995672D+00
      6  -0.112109D+01  0.147314D+01 -0.292106D+01 -0.220791D+01 -0.114515D+01
               131           132           133           134           135 
      1  -0.359882D+02 -0.357457D+01  0.496777D+01 -0.961318D+01 -0.543063D+01
      2   0.551012D+02  0.513569D+01 -0.488203D+01  0.132165D+02  0.652281D+01
      3  -0.191129D+02 -0.156112D+01 -0.857380D-01 -0.360337D+01 -0.109217D+01
      4   0.993683D+01 -0.359036D-01  0.381190D+00  0.243192D+01  0.255322D+01
      5   0.986689D+00  0.251545D+01  0.328465D+01  0.318902D+01  0.873677D+00
      6   0.483471D+01  0.765272D+01  0.689302D+00  0.102644D+02  0.361797D+01
               136           137           138           139           140 
      1   0.114078D+02  0.164150D+01 -0.241911D+01  0.349438D+01 -0.622791D+01
      2  -0.392559D+01  0.281473D+01 -0.674981D+00  0.180152D+00  0.118277D+02
      3  -0.748217D+01 -0.445623D+01  0.309409D+01 -0.367453D+01 -0.559975D+01
      4   0.179252D+02  0.150439D+02 -0.119292D+02  0.115519D+02  0.139848D+02
      5  -0.160413D+02 -0.100210D+02  0.162842D+02 -0.678511D+01 -0.971848D+01
      6  -0.102362D+02 -0.915731D+01  0.109887D+02 -0.742999D+01 -0.110084D+02
               141           142           143           144           145 
      1   0.253479D+01  0.157535D+01  0.685640D+01 -0.589859D+01 -0.710275D+01
      2  -0.467543D+01 -0.411617D+01 -0.892623D+01  0.370143D+00 -0.318861D+01
      3   0.214065D+01  0.254083D+01  0.206983D+01  0.552844D+01  0.102914D+02
      4  -0.102016D+02 -0.191133D+02 -0.172850D+02  0.162756D+02  0.634944D+01
      5   0.827123D+01  0.194725D+02  0.141980D+02 -0.237276D+02 -0.233300D+01
      6   0.102642D+02  0.156012D+02  0.171538D+02 -0.226441D+02 -0.357505D+01
               146           147           148           149           150 
      1  -0.363510D+01  0.110364D+02  0.870487D+00 -0.208023D+01 -0.576600D+01
      2   0.590843D+01  0.363390D+01  0.328121D+01 -0.250374D+00 -0.141962D+01
      3  -0.227333D+01 -0.146703D+02 -0.415170D+01  0.233061D+01  0.718562D+01
      4  -0.440012D+00 -0.623040D+01 -0.191801D+01  0.278192D+01  0.166621D+01
      5  -0.113167D+01  0.153654D+01 -0.838157D+00 -0.622721D+00  0.255899D+01
      6  -0.204382D+01  0.563530D+01 -0.131699D+01  0.233257D+01  0.909140D+00
               151           152           153           154           155 
      1   0.896898D+01 -0.896437D+00 -0.169464D+02  0.159576D+02 -0.216555D+01
      2   0.360435D+01 -0.189428D+01 -0.780203D+01 -0.775829D+01 -0.286348D+01
      3  -0.125733D+02  0.279072D+01  0.247484D+02 -0.819930D+01  0.502904D+01
      4  -0.773817D+01  0.270633D+01  0.482162D+01 -0.286711D+02  0.226823D+02
      5   0.356644D+01 -0.139688D+01  0.405217D+01  0.255440D+02 -0.150843D+02
      6   0.287387D+01  0.420160D+01 -0.932288D+01 -0.142182D+02  0.138834D+02
               156           157           158           159           160 
      1   0.266243D+01 -0.195299D+01 -0.324134D+01  0.127437D+01  0.427237D+01
      2  -0.364763D+01 -0.179573D+01  0.933867D+01 -0.182620D+01 -0.458578D+01
      3   0.985198D+00  0.374872D+01 -0.609733D+01  0.551836D+00  0.313411D+00
      4  -0.172341D+02  0.162864D+02 -0.174225D+02  0.110597D+02 -0.143887D+02
      5   0.210406D+02 -0.986197D+01  0.986876D+01 -0.843935D+01  0.176541D+02
      6  -0.137616D+02  0.979656D+01 -0.115047D+02  0.101146D+02 -0.108659D+02
               161           162           163           164           165 
      1   0.130959D+01 -0.232157D+01 -0.673118D+01 -0.119478D+02 -0.117656D+00
      2  -0.160282D+00 -0.483724D+01  0.863119D+01  0.176968D+02  0.358709D+01
      3  -0.114931D+01  0.715881D+01 -0.190000D+01 -0.574900D+01 -0.346944D+01
      4   0.112713D+02 -0.133221D+02  0.212370D+01  0.371461D+01 -0.104640D+01
      5  -0.116659D+02  0.189928D+02 -0.703880D+00 -0.432362D+01  0.316583D+00
      6   0.115179D+02 -0.149217D+02 -0.773954D+00  0.924456D-01  0.246108D+01
               166           167           168           169           170 
      1  -0.704798D+01 -0.247939D+02 -0.353873D+01 -0.280279D+01 -0.113264D+02
      2   0.105870D+02  0.409790D+02  0.766663D+01  0.463234D+01  0.173989D+02
      3  -0.353905D+01 -0.161851D+02 -0.412791D+01 -0.182955D+01 -0.607254D+01
      4   0.490152D+01 -0.851899D+01  0.569543D+00  0.429935D+00 -0.392565D+01
      5  -0.424206D+01 -0.489084D+01 -0.390599D+01  0.203634D+00 -0.388270D+01
      6   0.832063D+00 -0.196271D+01  0.621054D+01  0.105238D+01  0.511190D+01
               171           172           173           174           175 
      1  -0.457061D+01  0.179024D+02  0.473098D+01 -0.876875D+01  0.137731D+02
      2   0.607869D+01 -0.124702D+02 -0.526983D+01  0.968743D+01 -0.120968D+02
      3  -0.150808D+01 -0.543229D+01  0.538858D+00 -0.918684D+00 -0.167631D+01
      4  -0.978134D+00  0.280353D+01  0.665708D+01 -0.641130D+01  0.745596D+01
      5  -0.294831D+01 -0.137332D+02 -0.892032D+01  0.136409D+02 -0.165315D+02
      6   0.535263D+01 -0.189065D+01 -0.653565D+00  0.120656D+01 -0.106837D+01
               176           177           178           179           180 
      1   0.409778D+01 -0.938487D+01 -0.900854D+01 -0.637000D+01  0.566475D+01
      2  -0.630481D+01  0.135985D+02  0.125255D+02  0.101235D+02 -0.173664D+02
      3   0.220703D+01 -0.421368D+01 -0.351696D+01 -0.375351D+01  0.117017D+02
      4   0.161147D+02 -0.104107D+02 -0.679636D+01 -0.103517D+02  0.848309D+01
      5  -0.127259D+02  0.197084D+02  0.194719D+02  0.119651D+02 -0.297404D+02
      6  -0.522794D+01  0.414751D+01  0.910470D+00  0.575241D+01 -0.101332D+01
               181           182           183           184           185 
      1  -0.369502D+01 -0.131632D+02 -0.742720D+01 -0.934078D+01 -0.209442D+02
      2   0.325008D+01  0.940604D+01  0.304359D+01  0.395445D+01  0.213817D+02
      3   0.444939D+00  0.375718D+01  0.438361D+01  0.538633D+01 -0.437443D+00
      4  -0.142335D+01 -0.384238D+01 -0.475258D+01  0.721855D+01 -0.245848D+02
      5   0.214253D+01 -0.381350D+01 -0.406764D+01  0.237384D+01 -0.138888D+02
      6   0.219721D+01  0.773576D+01  0.688348D+01 -0.320056D+00  0.211839D+02
               186           187           188           189           190 
      1  -0.152736D+02 -0.306362D+01 -0.157570D+02 -0.140191D+02  0.728677D+02
      2   0.956727D+01  0.233930D+01  0.912173D+01  0.273881D+01 -0.284758D+02
      3   0.570633D+01  0.724310D+00  0.663530D+01  0.112802D+02 -0.443918D+02
      4  -0.140956D+02 -0.101730D+00 -0.131039D+02 -0.100742D+02 -0.405555D+02
      5  -0.112351D+02  0.416307D+01 -0.100323D+02 -0.154842D+02  0.214880D+01
      6   0.165634D+02  0.565435D+00  0.159327D+02  0.157636D+02 -0.136121D+01
               191           192           193           194           195 
      1  -0.211906D+02  0.102093D+02 -0.202275D+02  0.108197D+02 -0.531986D+01
      2   0.385781D+01 -0.201954D+01  0.221798D+01  0.103610D+01  0.146876D+01
      3   0.173327D+02 -0.818971D+01  0.180095D+02 -0.118558D+02  0.385111D+01
      4   0.226012D+02 -0.711224D+01  0.262571D+02 -0.196985D+02  0.261905D+01
      5  -0.257512D+01  0.107500D+02 -0.205828D+01 -0.237183D+00 -0.327520D+01
      6   0.276417D+00 -0.288282D+01 -0.223398D+00  0.114417D+01  0.390901D+01
               196           197           198           199           200 
      1   0.282489D+02 -0.101481D+02  0.905825D+01 -0.103840D+00 -0.889790D+00
      2  -0.877844D+01  0.196285D+01 -0.356127D+01  0.131035D+01  0.618713D+00
      3  -0.194704D+02  0.818523D+01 -0.549697D+01 -0.120651D+01  0.271077D+00
      4  -0.200183D+02  0.112659D+02 -0.624171D+01  0.363095D+00  0.125780D+01
      5   0.101349D+02 -0.368313D+01  0.919348D+01 -0.604969D+00  0.472628D+00
      6  -0.313041D+01  0.330596D+01 -0.374891D+01  0.112349D+01 -0.269529D-01
               201           202           203           204           205 
      1  -0.108178D+01 -0.265257D+01 -0.114377D+01 -0.443752D+01 -0.651901D+01
      2   0.862222D+00 -0.158497D+01  0.589389D+00  0.253316D+01  0.313387D+01
      3   0.219561D+00  0.423754D+01  0.554384D+00  0.190436D+01  0.338513D+01
      4   0.861203D+00  0.282242D+00 -0.125045D+01 -0.190193D+01  0.829518D+00
      5   0.147829D+01  0.333509D+00 -0.106881D+01 -0.611290D+00  0.846651D+00
      6   0.951520D-01 -0.901736D+00  0.338151D+01  0.340146D+01  0.115081D+01
               206           207           208           209           210 
      1  -0.587802D+01 -0.127170D+02  0.221337D+01  0.223651D+01  0.564072D+01
      2   0.397089D+01  0.208109D+01 -0.337015D+01 -0.125146D+01 -0.216623D+01
      3   0.190713D+01  0.106359D+02  0.115678D+01 -0.985045D+00 -0.347449D+01
      4  -0.126342D+01 -0.253140D+01  0.263106D+01  0.118567D+01  0.156549D+01
      5  -0.167841D+01 -0.446117D+01  0.530409D+01  0.172889D+01  0.456992D+01
      6   0.473264D+01  0.702680D+01  0.167433D+01 -0.210647D+00  0.445318D+00
               211           212           213           214           215 
      1   0.237756D+01 -0.429517D+01 -0.391547D+01  0.167538D+01 -0.436603D+01
      2  -0.402201D+01  0.522416D+00 -0.166617D+01 -0.375650D+01 -0.589574D+00
      3   0.164444D+01  0.377275D+01  0.558164D+01  0.208112D+01  0.495561D+01
      4  -0.247197D+01  0.133996D+01  0.237404D+01  0.324137D+01  0.357409D+01
      5   0.464967D+01  0.314257D+01  0.647801D+01  0.796117D+01  0.535051D+01
      6  -0.132467D+01  0.276924D+01  0.453539D+01  0.231742D+01  0.605509D+01
               216           217           218           219           220 
      1  -0.198109D+02  0.466909D+01  0.856844D+01 -0.131751D+00  0.213902D+02
      2  -0.842597D+01 -0.118224D+01 -0.568319D+01 -0.878423D-01 -0.595520D+01
      3   0.282369D+02 -0.348685D+01 -0.288524D+01  0.219594D+00 -0.154350D+02
      4   0.408333D+01  0.371167D+01  0.214049D+00 -0.145786D+01  0.234095D+02
      5   0.218881D+02 -0.235644D+01 -0.784735D+00  0.263359D+00  0.983586D+01
      6   0.603965D+01  0.223454D+01 -0.131808D+01 -0.152589D+01  0.553366D+01
               221           222           223           224           225 
      1  -0.815110D+01 -0.309329D+01  0.782119D+01 -0.341347D+01  0.198173D+01
      2   0.212555D+02  0.492112D+01 -0.452525D+01  0.294761D+01 -0.188455D+01
      3  -0.131044D+02 -0.182783D+01 -0.329594D+01  0.465860D+00 -0.971786D-01
      4   0.596086D+02  0.224851D+02  0.496042D+01  0.171946D+02  0.124448D+02
      5   0.211079D+02  0.151250D+02  0.150069D+02  0.126644D+02  0.187919D+02
      6   0.179354D+02  0.116295D+02  0.261170D+01  0.103684D+02  0.676555D+01
               226           227           228           229           230 
      1   0.183279D+02 -0.668446D+01  0.696876D+01 -0.196778D+02  0.244468D+01
      2  -0.127060D+02  0.416188D+01 -0.549493D+01  0.130249D+02 -0.230951D+01
      3  -0.562182D+01  0.252258D+01 -0.147383D+01  0.665288D+01 -0.135175D+00
      4  -0.754637D+01  0.423458D+01 -0.550580D+01  0.144908D+02 -0.145058D+02
      5   0.924749D+01 -0.623250D+01  0.118222D+02 -0.174866D+02  0.194596D+02
      6  -0.291346D+01  0.600785D+00 -0.945033D+00  0.511286D+01 -0.615167D+01
               231           232           233           234           235 
      1  -0.590390D+01  0.244849D+02  0.341318D+00  0.109878D+02  0.974429D+02
      2   0.998799D+01 -0.192414D+02  0.522470D+01 -0.225754D+02 -0.464120D+02
      3  -0.408408D+01 -0.524349D+01 -0.556602D+01  0.115876D+02 -0.510309D+02
      4   0.205667D+02 -0.497375D+01  0.187334D+02 -0.166790D+02  0.649729D+01
      5  -0.259962D+02  0.358724D+02 -0.153283D+02  0.564563D+02 -0.199987D+02
      6   0.919382D+01 -0.303587D+01  0.733621D+01 -0.714787D+01 -0.299212D+01
               236           237           238           239           240 
      1   0.206148D+01 -0.241111D+02 -0.472743D+01  0.922247D+01 -0.597315D+00
      2   0.168812D+00  0.105050D+02  0.354763D+01 -0.289275D+01  0.100036D+01
      3  -0.223029D+01  0.136061D+02  0.117981D+01 -0.632972D+01 -0.403045D+00
      4   0.124198D+02 -0.284343D+01  0.143402D+02  0.325679D+01 -0.196276D+01
      5  -0.188196D+01  0.167133D+02 -0.745797D+00 -0.153207D+01 -0.236601D+01
      6   0.174738D+00  0.154734D+01 -0.232419D+00  0.619732D+00  0.235515D+01
               241           242           243 
      1  -0.494946D+02 -0.267459D+01  0.204963D+02
      2   0.235666D+02  0.129970D+01 -0.113886D+02
      3   0.259280D+02  0.137489D+01 -0.910763D+01
      4  -0.515340D+01 -0.668060D+01  0.487546D+00
      5   0.236033D+02 -0.920731D-01 -0.167160D+02
      6   0.242366D+01  0.182360D+01 -0.255227D+01
 Leave Link  716 at Thu Aug 12 21:16:04 2021, MaxMem=  5368709120 cpu:               0.7 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.176284D+03  0.566344D+01  0.259876D+01
      2   0.566344D+01  0.109246D+03  0.316030D+01
      3   0.259876D+01  0.316030D+01  0.113212D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1  -0.723156D+01 -0.813187D+01  0.539689D+01
      2   0.351807D+02 -0.906039D+01  0.328226D+01
      3   0.263305D+02 -0.403960D+02  0.144689D+02
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1  -0.892864D+02 -0.279010D+02 -0.270193D+01
      2   0.757562D+02  0.528988D+01  0.905342D+01
      3   0.135302D+02  0.226111D+02 -0.635149D+01
      4  -0.403628D+02  0.954342D+02 -0.271841D+02
      5  -0.334582D+02 -0.293544D+02  0.454088D+01
      6  -0.138857D+02 -0.182689D+02 -0.124669D+02
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    81 ND12= 1 LenFil=    2919:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.370384D+01  0.230196D+01 -0.397945D+01  0.151383D+01  0.413454D+00
      2   0.230196D+01  0.264094D+00  0.394465D+01  0.413454D+00  0.315115D+01
      3  -0.397945D+01  0.394465D+01  0.192460D+00  0.389227D+01  0.168646D+01
                 6             7             8             9            10 
      1   0.389227D+01 -0.428922D+01  0.394459D+01  0.299773D+00  0.265125D+02
      2   0.168646D+01  0.394459D+01  0.217989D+01  0.922716D-01 -0.419801D+01
      3  -0.812297D+00  0.299773D+00  0.922716D-01 -0.205215D+01  0.375141D+01
                11            12            13            14            15 
      1  -0.419801D+01  0.375141D+01 -0.990264D+01  0.281343D+01 -0.424532D+01
      2   0.619586D+00 -0.350817D+01  0.281343D+01 -0.435693D+01 -0.293233D+01
      3  -0.350817D+01 -0.699081D+00 -0.424532D+01 -0.293233D+01 -0.325420D+00
                16            17            18            19            20 
      1   0.193964D+02 -0.510145D+01  0.141914D+00 -0.508248D+02 -0.635615D+00
      2  -0.510145D+01 -0.267867D+01 -0.896450D-01 -0.635615D+00 -0.447956D+01
      3   0.141914D+00 -0.896450D-01  0.807959D+00 -0.125437D+01  0.111749D+01
                21            22            23            24            25 
      1  -0.125437D+01  0.656139D+01 -0.104365D+02  0.237268D+01 -0.810087D+01
      2   0.111749D+01 -0.104365D+02 -0.138783D+01 -0.805882D+00  0.204825D+01
      3  -0.185431D-03  0.237268D+01 -0.805882D+00  0.233260D+01  0.474295D+00
                26            27            28            29            30 
      1   0.204825D+01  0.474295D+00  0.674917D+02  0.381388D+01 -0.518410D+00
      2  -0.137065D+01  0.228836D+01  0.381388D+01  0.306284D+01 -0.551266D+00
      3   0.228836D+01  0.472062D+01 -0.518410D+00 -0.551266D+00  0.147627D+01
                31            32            33            34            35 
      1   0.117960D+02  0.706089D+01 -0.211693D+01  0.809372D+01 -0.638122D+00
      2   0.706089D+01  0.305365D+01 -0.181312D+00 -0.638122D+00  0.836272D+00
      3  -0.211693D+01 -0.181312D+00 -0.129266D+01  0.173706D+01 -0.163183D+01
                36            37            38            39            40 
      1   0.173706D+01 -0.589938D+02 -0.324994D+01  0.336571D+01 -0.128512D+02
      2  -0.163183D+01 -0.324994D+01 -0.174573D+01  0.752916D+00 -0.469812D+01
      3  -0.339614D+01  0.336571D+01  0.752916D+00 -0.123249D+01  0.157027D+01
                41            42            43            44            45 
      1  -0.469812D+01  0.157027D+01 -0.115996D+02 -0.667358D+00 -0.381354D+01
      2  -0.230850D+01 -0.794278D+00 -0.667358D+00 -0.155077D+01  0.174741D+01
      3  -0.794278D+00  0.201038D+01 -0.381354D+01  0.174741D+01  0.301815D+01
                46            47            48            49            50 
      1   0.178836D+02  0.908207D+00 -0.277779D+01 -0.621871D+01 -0.897412D+00
      2   0.908207D+00 -0.755929D+00  0.101281D+00 -0.897412D+00 -0.609354D+00
      3  -0.277779D+01  0.101281D+00 -0.513606D+00  0.312333D+01 -0.681922D+00
                51            52            53            54            55 
      1   0.312333D+01 -0.298972D+02  0.865744D+00  0.944988D+01 -0.495469D+01
      2  -0.681922D+00  0.865744D+00  0.922560D-01 -0.933838D+00  0.617556D+00
      3  -0.175960D+01  0.944988D+01 -0.933838D+00 -0.645161D+01  0.248491D+01
                56            57            58            59            60 
      1   0.617556D+00  0.248491D+01  0.924100D+01 -0.191091D+01 -0.298149D+01
      2  -0.329275D+00 -0.455783D+00 -0.191091D+01  0.179758D+01  0.294387D+01
      3  -0.455783D+00 -0.107954D+01 -0.298149D+01  0.294387D+01  0.166442D+01
                61            62            63            64            65 
      1   0.300020D+02 -0.266356D+00 -0.108732D+02 -0.942414D+01  0.256744D+01
      2  -0.266356D+00  0.155174D+01  0.119260D+01  0.256744D+01 -0.626379D-01
      3  -0.108732D+02  0.119260D+01  0.114549D+02 -0.252612D+01  0.406157D+01
                66            67            68            69            70 
      1  -0.252612D+01  0.346716D+01 -0.136938D+01  0.387083D+01 -0.839448D+01
      2   0.406157D+01 -0.136938D+01  0.198552D+01  0.377311D+01  0.434269D+01
      3   0.102621D+01  0.387083D+01  0.377311D+01 -0.899859D+00 -0.108709D+00
                71            72            73            74            75 
      1   0.434269D+01 -0.108709D+00 -0.663128D+01 -0.165108D+01 -0.165333D+01
      2   0.331610D+01 -0.210143D+00 -0.165108D+01  0.196422D+01 -0.496215D+00
      3  -0.210143D+00  0.160071D+01 -0.165333D+01 -0.496215D+00  0.261467D+01
                76            77            78            79            80 
      1  -0.183608D+01  0.272627D+01 -0.658864D+00  0.359027D+00 -0.178352D+00
      2   0.272627D+01  0.519190D+01  0.328923D+01 -0.178352D+00  0.291899D+01
      3  -0.658864D+00  0.328923D+01 -0.851591D+00  0.225331D+01 -0.177225D+01
                81            82            83            84            85 
      1   0.225331D+01  0.857534D+01  0.301321D+01  0.703127D+00  0.598879D+01
      2  -0.177225D+01  0.301321D+01  0.422030D+01  0.316938D+01  0.635502D+01
      3  -0.351369D+01  0.703127D+00  0.316938D+01 -0.284849D+01  0.221365D+01
                86            87            88            89            90 
      1   0.635502D+01  0.221365D+01  0.974142D+01  0.607956D+01 -0.368500D+01
      2  -0.201184D+01 -0.645378D-01  0.607956D+01  0.137198D+00 -0.422416D+00
      3  -0.645378D-01  0.189391D-01 -0.368500D+01 -0.422416D+00  0.786023D+00
                91            92            93            94            95 
      1   0.190473D+01 -0.141793D+01 -0.476424D+01 -0.241918D+01  0.717930D+00
      2  -0.141793D+01 -0.963332D+00 -0.112168D+01  0.717930D+00  0.409908D+01
      3  -0.476424D+01 -0.112168D+01  0.123489D+01 -0.100149D+01  0.370563D+01
                96            97            98            99           100 
      1  -0.100149D+01 -0.738566D+01 -0.921978D+00  0.399474D+01  0.115561D+02
      2   0.370563D+01 -0.921978D+00  0.303095D+01 -0.921901D+00  0.239275D+01
      3  -0.148943D+01  0.399474D+01 -0.921901D+00  0.413180D+01  0.245921D+01
               101           102           103           104           105 
      1   0.239275D+01  0.245921D+01  0.977801D+00  0.153235D+01  0.259577D+00
      2   0.181300D+01  0.617663D+00  0.153235D+01  0.553631D+00  0.146585D+00
      3   0.617663D+00  0.144751D+01  0.259577D+00  0.146585D+00  0.235773D+00
               106           107           108           109           110 
      1   0.408681D+00  0.181251D+00  0.117679D+01 -0.138743D+00  0.447136D+00
      2   0.181251D+00 -0.252005D+00  0.507191D+00  0.447136D+00 -0.871590D+00
      3   0.117679D+01  0.507191D+00  0.107863D+01  0.986614D+00 -0.273625D+00
               111           112           113           114           115 
      1   0.986614D+00  0.100779D+00 -0.116442D+00  0.929799D-01  0.950852D+00
      2  -0.273625D+00 -0.116442D+00  0.425279D+00  0.786763D+00  0.113802D+00
      3  -0.195456D+01  0.929799D-01  0.786763D+00  0.939538D+00  0.110616D+00
               116           117           118           119           120 
      1   0.113802D+00  0.110616D+00 -0.370105D-01 -0.402783D+00 -0.799049D+00
      2   0.170851D+01  0.173345D+01 -0.402783D+00  0.309968D+00 -0.125237D+00
      3   0.173345D+01  0.800555D+01 -0.799049D+00 -0.125237D+00 -0.313150D+00
               121           122           123           124           125 
      1  -0.209490D+01  0.433731D+00 -0.237794D-01 -0.120359D+01  0.654951D-02
      2   0.433731D+00 -0.501860D+00 -0.108169D+01  0.654951D-02 -0.112617D+01
      3  -0.237794D-01 -0.108169D+01 -0.133320D+01  0.132072D+00 -0.788917D+00
               126           127           128           129           130 
      1   0.132072D+00 -0.203531D+01  0.149012D+01  0.521972D-01 -0.446537D+00
      2  -0.788917D+00  0.149012D+01 -0.415658D+01 -0.558296D+00 -0.168449D+01
      3  -0.742278D+01  0.521972D-01 -0.558296D+00 -0.310680D+00 -0.352497D+00
               131           132           133           134           135 
      1  -0.168449D+01 -0.352497D+00  0.101652D+00 -0.749669D+00  0.203249D+00
      2   0.831654D+01  0.656617D+00 -0.749669D+00  0.219397D+01  0.138246D+01
      3   0.656617D+00  0.943424D+00  0.203249D+00  0.138246D+01  0.562082D+00
               136           137           138           139           140 
      1   0.302028D+01  0.161727D+01 -0.187620D+01 -0.399283D+00  0.113395D+01
      2   0.161727D+01  0.168666D+01 -0.150613D+01  0.113395D+01  0.264562D+01
      3  -0.187620D+01 -0.150613D+01  0.229406D+01 -0.107976D+01 -0.163057D+01
               141           142           143           144           145 
      1  -0.107976D+01 -0.521275D+01 -0.280228D+01  0.291421D+01 -0.291527D+01
      2  -0.163057D+01 -0.280228D+01 -0.307678D+01  0.257835D+01  0.420308D+00
      3   0.140556D+01  0.291421D+01  0.257835D+01 -0.442442D+01  0.189767D+01
               146           147           148           149           150 
      1   0.420308D+00  0.189767D+01  0.140324D+01 -0.855745D+00 -0.620374D+00
      2  -0.107356D+01 -0.187674D+00 -0.855745D+00  0.595695D+00  0.257455D+00
      3  -0.187674D+00 -0.243489D+01 -0.620374D+00  0.257455D+00  0.131052D+01
               151           152           153           154           155 
      1   0.156819D+01 -0.523007D+00 -0.190511D+01  0.579263D+01 -0.289649D+01
      2  -0.523007D+00  0.735935D+00 -0.175226D-01 -0.289649D+01  0.296946D+01
      3  -0.190511D+01 -0.175226D-01  0.437655D+01  0.305574D+01 -0.225159D+01
               156           157           158           159           160 
      1   0.305574D+01 -0.142604D+01  0.189697D+01 -0.142803D+01  0.179172D+01
      2  -0.225159D+01  0.189697D+01 -0.287270D+01  0.149506D+01 -0.169892D+01
      3   0.283648D+01 -0.142803D+01  0.149506D+01 -0.125224D+01  0.214734D+01
               161           162           163           164           165 
      1  -0.169892D+01  0.214734D+01 -0.129116D+01 -0.158604D+01 -0.433867D-01
      2   0.143085D+01 -0.189727D+01 -0.158604D+01 -0.255772D+01 -0.600224D+00
      3  -0.189727D+01  0.317781D+01 -0.433867D-01 -0.600224D+00 -0.654123D+00
               166           167           168           169           170 
      1  -0.110726D+01 -0.144105D+01 -0.568357D+00 -0.527570D+00 -0.855993D+00
      2  -0.144105D+01 -0.648780D+01 -0.821411D+00 -0.855993D+00 -0.297414D+01
      3  -0.568357D+00 -0.821411D+00 -0.114281D+01 -0.449371D+00 -0.106358D+01
               171           172           173           174           175 
      1  -0.449371D+00  0.296578D+01  0.763688D+00 -0.132826D+01  0.204385D+01
      2  -0.106358D+01  0.763688D+00  0.715801D+00 -0.103103D+01  0.997270D+00
      3  -0.107152D+01 -0.132826D+01 -0.103103D+01  0.130504D+01 -0.194772D+01
               176           177           178           179           180 
      1   0.997270D+00 -0.194772D+01 -0.146273D+01 -0.115336D+01  0.218912D+01
      2   0.254058D+01 -0.186027D+01 -0.115336D+01 -0.183312D+01  0.153349D+01
      3  -0.186027D+01  0.266576D+01  0.218912D+01  0.153349D+01 -0.411327D+01
               181           182           183           184           185 
      1  -0.214782D+00 -0.783912D+00 -0.203210D+00 -0.140760D+01  0.340808D+00
      2  -0.783912D+00 -0.190957D+01 -0.140574D+01  0.340808D+00 -0.529383D+01
      3  -0.203210D+00 -0.140574D+01 -0.152430D+01 -0.103971D+00 -0.305175D+01
               186           187           188           189           190 
      1  -0.103971D+00 -0.162192D+00 -0.298039D+00  0.149658D+00  0.930419D+01
      2  -0.305175D+01 -0.298039D+00 -0.279920D+01 -0.236731D+01 -0.339982D+01
      3  -0.241993D+01  0.149658D+00 -0.236731D+01 -0.322617D+01  0.117588D+01
               191           192           193           194           195 
      1  -0.339982D+01  0.117588D+01 -0.298351D+01  0.256503D+01 -0.657885D+00
      2   0.201529D+01 -0.716506D+00  0.256503D+01 -0.219023D+01  0.391736D-01
      3  -0.716506D+00  0.121676D+01 -0.657885D+00  0.391736D-01 -0.518756D+00
               196           197           198           199           200 
      1   0.580098D+01 -0.199837D+01  0.134293D+01  0.133357D+01  0.541919D+00
      2  -0.199837D+01  0.109991D+01 -0.619568D+00  0.541919D+00  0.130789D-01
      3   0.134293D+01 -0.619568D+00  0.119444D+01  0.789699D+00 -0.108904D-01
               201           202           203           204           205 
      1   0.789699D+00  0.150332D+01 -0.106894D+01  0.306225D+00  0.209997D+01
      2  -0.108904D-01 -0.106894D+01  0.623754D+00  0.109432D+01  0.632768D+00
      3  -0.566967D-01  0.306225D+00  0.109432D+01  0.116752D+01  0.549714D+00
               206           207           208           209           210 
      1   0.632768D+00  0.549714D+00 -0.145608D+01 -0.618224D+00 -0.121920D+01
      2   0.138953D+01  0.119374D+01 -0.618224D+00 -0.627678D-01 -0.824730D-01
      3   0.119374D+01  0.466822D+01 -0.121920D+01 -0.824730D-01  0.194215D+00
               211           212           213           214           215 
      1  -0.923632D+00  0.245313D+00 -0.729041D+00 -0.189559D+01 -0.547948D+00
      2   0.245313D+00 -0.565668D+00 -0.960234D+00 -0.547948D+00 -0.118973D+01
      3  -0.729041D+00 -0.960234D+00 -0.179591D+01 -0.101369D+01 -0.162605D+01
               216           217           218           219           220 
      1  -0.101369D+01 -0.135562D+01 -0.616762D+00  0.433157D+00 -0.367385D+01
      2  -0.162605D+01 -0.616762D+00  0.599272D+00  0.400786D+00 -0.221642D+01
      3  -0.667506D+01  0.433157D+00  0.400786D+00  0.241806D+00 -0.906312D+00
               221           222           223           224           225 
      1  -0.221642D+01 -0.906312D+00 -0.145369D+01 -0.566008D+00 -0.158296D+01
      2  -0.758853D+01 -0.280216D+01 -0.566008D+00 -0.217758D+01 -0.166890D+01
      3  -0.280216D+01 -0.198030D+01 -0.158296D+01 -0.166890D+01 -0.237769D+01
               226           227           228           229           230 
      1  -0.309856D+01  0.812291D+00 -0.578830D+00  0.258579D+01 -0.131265D+01
      2   0.812291D+00 -0.271758D+00  0.520956D+00 -0.131265D+01  0.158181D+01
      3  -0.578830D+00  0.520956D+00 -0.820101D+00  0.159971D+01 -0.229758D+01
               231           232           233           234           235 
      1   0.159971D+01 -0.395821D+01  0.333117D+00 -0.355491D+01 -0.926533D+01
      2  -0.229758D+01  0.333117D+00 -0.219365D+01  0.175784D+01 -0.251128D+00
      3   0.293646D+01 -0.355491D+01  0.175784D+01 -0.649490D+01  0.236652D+01
               236           237           238           239           240 
      1  -0.251128D+00  0.236652D+01  0.507493D+00 -0.122432D+01  0.120289D+00
      2  -0.101355D+01  0.195845D+00 -0.122432D+01 -0.386712D+00  0.916497D-01
      3   0.195845D+00 -0.163849D+01  0.120289D+00  0.916497D-01  0.243116D+00
               241           242           243 
      1   0.522884D+01  0.418888D+00 -0.228016D+01
      2   0.418888D+00  0.600378D+00  0.239891D-01
      3  -0.228016D+01  0.239891D-01  0.163596D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.562587D+01  0.925575D+01  0.655321D+01  0.882219D+01  0.947376D+01
      2  -0.855804D+01  0.193083D+01  0.770824D+01  0.721178D+01  0.150572D+01
      3  -0.417184D+01 -0.902910D+01  0.168335D+01 -0.272302D+00 -0.622550D+01
                 6             7             8             9            10 
      1  -0.125748D+01  0.631700D+01  0.595045D+01 -0.506723D+01  0.693004D+01
      2  -0.639353D+01  0.316091D+01 -0.620699D+01 -0.404425D+01  0.235730D+02
      3  -0.104303D+02  0.659091D-01 -0.124320D+02 -0.111281D+01  0.127816D+02
                11            12            13            14            15 
      1  -0.566690D+01 -0.501999D+00 -0.977619D+01 -0.539740D+01 -0.557787D+01
      2  -0.956374D+01  0.242876D+01 -0.142809D+02 -0.378286D+01 -0.130551D+01
      3  -0.322414D+01  0.778100D+01  0.629384D+01  0.111478D+02  0.108737D+02
                16            17            18            19            20 
      1   0.585672D+01  0.368833D+01 -0.559372D+00 -0.100154D+01  0.340487D+01
      2   0.698592D+01 -0.650387D+00  0.250640D+01 -0.374452D+02 -0.109223D+01
      3   0.122179D+02  0.110571D+02  0.612891D+00 -0.217809D+02 -0.406340D+01
                21            22            23            24            25 
      1  -0.134339D+01  0.155990D+02  0.433599D+01 -0.189578D+01 -0.594040D+01
      2   0.216337D+01  0.299150D+01 -0.799006D+01  0.398195D+01 -0.183377D+02
      3  -0.219575D+01  0.386177D+01 -0.828937D+01  0.304411D+01 -0.485560D+01
                26            27            28            29            30 
      1   0.510584D+01 -0.385223D+01 -0.484882D+01  0.379589D+00 -0.207580D-01
      2   0.250192D+01  0.241705D+01  0.443842D+02  0.470574D+01 -0.444549D+01
      3   0.923659D+00 -0.854492D+00  0.202096D+02  0.835777D+01 -0.145543D+01
                31            32            33            34            35 
      1  -0.452933D+01 -0.295739D+01 -0.269964D+01  0.254026D+01 -0.121503D+00
      2   0.129016D+02  0.360645D+01 -0.123685D+01 -0.150833D+02 -0.123689D+01
      3   0.375437D+02  0.759390D+01  0.430438D+00 -0.136940D+01 -0.945671D+00
                36            37            38            39            40 
      1   0.332485D+01  0.329606D+01  0.103905D+01 -0.597284D+00  0.726351D+01
      2   0.157009D+01 -0.478339D+02 -0.365485D+01  0.134743D+02 -0.144043D+02
      3  -0.420331D+00 -0.168866D+02 -0.113286D+02  0.157833D+01 -0.101426D+02
                41            42            43            44            45 
      1   0.823046D+00 -0.496489D+01  0.229729D+01 -0.923217D-02  0.806681D+00
      2  -0.242023D+01 -0.122128D+01 -0.148936D+02 -0.384073D+01 -0.691978D+01
      3  -0.576243D+01 -0.874119D+00  0.154620D+00  0.820504D+00  0.921383D+00
                46            47            48            49            50 
      1   0.290787D+00 -0.245484D+01  0.247679D+01  0.746292D+01 -0.373699D+01
      2   0.936275D+01  0.264553D+01 -0.449970D+01 -0.707064D+01  0.163270D+01
      3   0.133699D+01  0.127315D+02 -0.449546D+01  0.239479D+02  0.136309D+01
                51            52            53            54            55 
      1  -0.773764D+01  0.204810D+01 -0.409640D+01  0.230753D+01 -0.148832D+01
      2   0.711625D+01 -0.552306D+02  0.137942D+00  0.309175D+02 -0.111709D+01
      3  -0.148449D+01 -0.663004D+01 -0.103699D+02 -0.103338D+01  0.122444D+00
                56            57            58            59            60 
      1   0.719611D+00 -0.543938D+00 -0.439310D+00  0.269166D+01 -0.149922D+01
      2   0.143271D+01  0.738018D+01  0.101375D+02 -0.867065D+01 -0.855905D+01
      3  -0.736097D+01 -0.256832D+00 -0.621850D+01  0.603497D+01  0.787055D+01
                61            62            63            64            65 
      1  -0.132914D+01  0.916824D+01 -0.393535D+00 -0.536405D+01  0.569046D+01
      2   0.349294D+02 -0.353502D+01 -0.464576D+02 -0.157466D+02  0.162877D+02
      3   0.594648D+01  0.135817D+02  0.226255D+01 -0.222271D+01 -0.425382D+01
                66            67            68            69            70 
      1  -0.479975D+01  0.821847D+01  0.290906D+01 -0.789531D+01 -0.872221D+01
      2   0.216258D+01  0.154009D+02  0.122929D+02  0.204225D+01 -0.121855D+02
      3  -0.113654D+02  0.677734D+01 -0.656445D+01 -0.188264D+02 -0.130042D+02
                71            72            73            74            75 
      1  -0.165756D+01  0.381016D+01 -0.168176D+01  0.595552D+01 -0.483291D+01
      2   0.526934D+01  0.727586D+01  0.800576D+01  0.209502D+01  0.126490D+02
      3  -0.168494D+02  0.113008D+01 -0.166926D+01 -0.133468D+02  0.685379D+00
                76            77            78            79            80 
      1   0.196543D+01  0.107459D+01  0.459618D+01 -0.384239D+01  0.940222D+01
      2   0.368402D+00  0.650731D+01 -0.295916D+01  0.470571D+01 -0.578801D+01
      3  -0.602190D+01 -0.118418D+02 -0.121494D+02  0.191032D+01 -0.111333D+02
                81            82            83            84            85 
      1   0.188635D+01 -0.378783D+01 -0.128624D+02  0.731948D+01 -0.157536D+02
      2  -0.142188D+02  0.916547D+01  0.743772D+01 -0.294512D+01  0.862057D+01
      3   0.917300D+01  0.270860D+01 -0.690934D+01 -0.556046D+01  0.758361D+01
                86            87            88            89            90 
      1   0.677825D+00 -0.353153D+01  0.454292D+01  0.262484D+01 -0.758168D+00
      2   0.488863D+01  0.164732D+01 -0.170133D+01  0.307095D+01 -0.140969D+01
      3   0.157535D+02  0.677321D+01  0.101735D+01  0.129752D+02 -0.860210D+01
                91            92            93            94            95 
      1  -0.318882D+00  0.227417D+01  0.128660D+01 -0.728479D+01 -0.276591D+01
      2   0.197331D+02  0.307141D+01 -0.533929D+01  0.382561D+01 -0.158660D+02
      3  -0.752774D+01 -0.101448D+02 -0.283336D+01  0.165486D+02  0.198657D+02
                96            97            98            99           100 
      1  -0.850077D+01  0.507863D+01 -0.977781D+00  0.376661D+01 -0.855403D+00
      2   0.721956D+01 -0.267411D+02  0.301626D+01 -0.146669D+02 -0.467891D+01
      3   0.210585D+02 -0.460967D+01  0.121923D+02 -0.683003D+01  0.660528D+01
               101           102           103           104           105 
      1   0.190028D+01 -0.175336D+01  0.272077D+00  0.961205D-01 -0.130832D+01
      2  -0.103661D+00  0.520145D+01 -0.672384D+00 -0.805454D+00  0.680254D+00
      3  -0.638860D+01  0.782941D+00 -0.609081D+00  0.331047D-01  0.587713D+00
               106           107           108           109           110 
      1  -0.106480D+01  0.683376D-01 -0.765056D+00 -0.744680D+00 -0.182336D+01
      2   0.135944D+01  0.102976D+01  0.234144D+01  0.408420D+01 -0.117319D+01
      3   0.328402D+00  0.741877D+00 -0.694305D-01 -0.170208D+01  0.214246D+01
               111           112           113           114           115 
      1   0.225302D+01 -0.893217D+00 -0.755417D+00 -0.140377D+01  0.321079D+00
      2  -0.632539D+01 -0.452080D+00  0.283243D+01  0.241016D+01 -0.517788D+01
      3   0.182377D+01  0.217567D+01 -0.793853D+00 -0.178009D+01  0.169588D+01
               116           117           118           119           120 
      1   0.252727D+01 -0.754792D+01  0.101546D+01  0.473398D+00  0.197494D+00
      2   0.437621D+01  0.227543D+02 -0.214755D+01 -0.518442D+00  0.369947D+00
      3  -0.370240D+01 -0.472119D+01  0.376485D+00 -0.118822D+01 -0.462096D+00
               121           122           123           124           125 
      1   0.110681D+01  0.157703D+01  0.422134D+00 -0.193120D+00  0.472132D+01
      2  -0.143854D+01 -0.440480D+00 -0.146180D+01 -0.398581D+01 -0.463466D+00
      3   0.290591D+01  0.379376D+00  0.586204D+00 -0.580766D+00  0.187542D+00
               126           127           128           129           130 
      1   0.372699D+01 -0.795012D+00  0.308317D+01  0.213272D+01  0.144343D+01
      2  -0.687239D+01 -0.798938D+00 -0.737069D+00  0.319032D+00 -0.209348D+01
      3   0.711610D+00 -0.806984D+01  0.920759D+01  0.119283D+01  0.820732D+01
               131           132           133           134           135 
      1  -0.470748D+01 -0.512117D+01  0.109540D-02 -0.269634D+01 -0.243795D+01
      2   0.384685D+00  0.542803D+00 -0.945298D+00  0.186636D+01  0.102086D+01
      3  -0.179144D+02 -0.188176D+01  0.253417D+01 -0.567743D+01 -0.206997D+01
               136           137           138           139           140 
      1   0.364980D+01  0.199353D+01 -0.542937D+01  0.235233D+01  0.207017D+01
      2  -0.690754D+00 -0.176919D+01  0.455309D+01 -0.248848D+01 -0.225449D+01
      3   0.348445D+01 -0.222107D+01 -0.107333D+01 -0.163564D+00 -0.315743D+01
               141           142           143           144           145 
      1  -0.311755D+01 -0.474785D+01 -0.114904D+01  0.953604D+01  0.598645D+01
      2   0.256808D+01 -0.161235D+00  0.287942D+01 -0.620780D+01  0.107421D+02
      3   0.555096D+00 -0.447104D+01  0.140287D+01  0.102396D+01  0.596232D+01
               146           147           148           149           150 
      1  -0.408233D+01 -0.480424D+01 -0.399613D+01  0.286296D+01  0.154754D+01
      2  -0.166935D+01 -0.530757D+01 -0.477083D+01  0.194348D+01  0.275862D+01
      3  -0.637313D+00 -0.349980D+01  0.209342D+00  0.647575D+00  0.104348D+01
               151           152           153           154           155 
      1  -0.512964D+01  0.360034D+01  0.746387D+01  0.185999D+01  0.313599D+00
      2  -0.859053D+01  0.121141D+01  0.881042D+01 -0.208951D+01 -0.116098D+01
      3  -0.357249D+01  0.134806D+01  0.408591D+01 -0.444044D+01 -0.274464D+01
               156           157           158           159           160 
      1   0.326260D+01 -0.667553D-01 -0.114891D+01 -0.205863D+01  0.143270D+01
      2   0.361251D+01  0.206385D+01  0.498456D+00 -0.666322D+00 -0.179776D+01
      3  -0.443418D+00  0.230336D+01  0.270609D+01  0.211291D+00 -0.270160D+01
               161           162           163           164           165 
      1   0.611912D-01  0.389268D+01 -0.241661D+01 -0.459794D+01 -0.337911D+01
      2  -0.746612D+00  0.367492D+01  0.195300D+01  0.145239D+01  0.278068D+00
      3   0.148617D+00 -0.347089D+00  0.782555D+01  0.631406D+01  0.152524D+01
               166           167           168           169           170 
      1  -0.323895D+01 -0.969249D+01 -0.580867D+01 -0.231109D+01 -0.401622D+01
      2   0.997002D+00  0.194488D+01  0.110612D+00 -0.118950D+01  0.899778D-01
      3   0.740759D+01  0.140263D+02  0.248376D+01  0.397948D+01  0.700334D+01
               171           172           173           174           175 
      1  -0.463722D+01 -0.253636D+01 -0.251354D+01  0.252016D+01 -0.271254D+01
      2  -0.277515D+00 -0.149072D+01 -0.241085D+01  0.406153D+01 -0.298495D+01
      3   0.296888D+01 -0.404335D+01 -0.416844D+01  0.471274D+01 -0.335663D+01
               176           177           178           179           180 
      1  -0.740756D+01  0.390262D+01  0.357760D+01  0.635269D+01 -0.559293D+01
      2  -0.543734D+01  0.748252D+01  0.333198D+01  0.405708D+01 -0.114751D+02
      3  -0.109936D+02  0.769457D+01  0.472025D+01  0.815773D+01 -0.691669D+01
               181           182           183           184           185 
      1   0.749485D+00  0.712337D+00 -0.110969D+01  0.333149D-01  0.257057D+01
      2  -0.248300D+01 -0.543467D+01 -0.410168D+01 -0.299625D+01 -0.103959D+02
      3   0.472594D+01  0.619631D+01  0.482439D+01  0.296188D+01  0.170660D+02
               186           187           188           189           190 
      1  -0.218120D+01  0.595539D+00  0.193587D+01 -0.247719D+01  0.490225D+01
      2  -0.834067D+01 -0.175827D+01 -0.840012D+01 -0.102451D+02  0.118383D+02
      3   0.104397D+02  0.256189D+01  0.102181D+02  0.822988D+01  0.535984D+00
               191           192           193           194           195 
      1  -0.273160D+01  0.329131D+01 -0.299379D+01  0.179813D+01 -0.190792D+01
      2  -0.570683D+01  0.830724D+01 -0.492214D+01  0.227613D+01 -0.360478D+01
      3  -0.594108D+01  0.109156D+01 -0.325501D+01  0.540982D+01  0.673890D+00
               196           197           198           199           200 
      1   0.319797D+01 -0.502186D+00  0.243175D+01  0.228214D+00 -0.504373D+00
      2   0.736728D+01 -0.343536D+01  0.628388D+01  0.935469D+00  0.287266D+00
      3   0.233444D+01 -0.267948D+01  0.581023D+00  0.999704D+00  0.973205D-01
               201           202           203           204           205 
      1   0.686816D-01 -0.409282D+01  0.166677D+00 -0.103855D+01  0.425899D+00
      2  -0.587640D+00 -0.161794D+01 -0.219305D+01  0.403777D-02 -0.427513D+01
      3   0.447693D+00  0.460216D+00  0.305067D+00  0.914477D+00  0.229369D+01
               206           207           208           209           210 
      1   0.283951D+01 -0.362207D+01  0.153097D+01  0.636552D-01  0.693291D-02
      2   0.692158D+00 -0.290161D+01  0.128582D+01 -0.363508D+00 -0.766232D+00
      3   0.169224D+01 -0.270971D-01 -0.294106D+01 -0.761335D+00 -0.679906D-01
               211           212           213           214           215 
      1  -0.604739D+01  0.578440D+00  0.231881D+00  0.195615D+01  0.435565D+01
      2   0.171177D+01  0.194546D+01  0.269932D+01 -0.296255D+01  0.250006D+01
      3   0.990885D+01 -0.190606D+00 -0.210517D+01 -0.318261D+01 -0.283882D+01
               216           217           218           219           220 
      1   0.374020D+00 -0.258622D+00 -0.686795D+00 -0.207342D+00  0.234176D+01
      2   0.109270D+02 -0.137996D+01 -0.195598D+01  0.639739D+00 -0.697597D+00
      3  -0.322282D+01  0.631603D+00  0.311695D+01  0.216979D+01 -0.882258D+01
               221           222           223           224           225 
      1   0.597071D+01 -0.126712D-01  0.168674D+00  0.219522D+01  0.157098D+00
      2   0.993071D+01  0.750783D+01  0.407912D+01  0.635995D+01  0.810535D+01
      3  -0.340263D+02 -0.132814D+02 -0.148178D+01 -0.959099D+01 -0.732158D+01
               226           227           228           229           230 
      1  -0.332962D+00  0.603965D+00 -0.931392D+00  0.266260D+01 -0.305143D+01
      2  -0.456140D+00 -0.148982D+01  0.420002D+01 -0.492473D+01  0.886420D+01
      3   0.159193D+01 -0.291792D+01  0.229811D+01 -0.903301D+01  0.724807D+01
               231           232           233           234           235 
      1   0.275266D+01 -0.296103D+01  0.435724D+01 -0.493787D+01  0.161723D+01
      2  -0.121352D+02  0.102203D+02 -0.750339D+01  0.251880D+02 -0.168473D+02
      3  -0.116193D+02  0.509387D+01 -0.952154D+01  0.108767D+02  0.272582D+01
               236           237           238           239           240 
      1   0.611081D-01 -0.111448D+01  0.981390D+00  0.364527D+00 -0.540211D+00
      2  -0.962251D+00  0.114149D+02 -0.415184D+00 -0.797710D+00 -0.887462D+00
      3  -0.615694D+01 -0.468358D+00 -0.305956D+01 -0.989100D+00  0.491363D+00
               241           242           243 
      1  -0.128431D+01  0.894342D+00  0.744738D+00
      2   0.107350D+02 -0.833508D-01 -0.939621D+01
      3  -0.395464D+00  0.328992D+01  0.971126D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.918605D+01  0.753593D+01 -0.655015D+01  0.332929D+01  0.373355D+01
      2  -0.261296D+01 -0.168502D+02 -0.881122D+01 -0.115591D+02 -0.145750D+02
      3  -0.657309D+01  0.931431D+01  0.153614D+02  0.822977D+01  0.108415D+02
      4   0.150027D+02 -0.979050D+01  0.234177D+02 -0.653906D+01  0.812525D+01
      5  -0.184576D+02  0.195199D+02 -0.913586D+01  0.190901D+02  0.338128D+01
      6   0.151299D+02 -0.164320D+02  0.840128D+01 -0.110813D+02 -0.639951D+01
                 6             7             8             9            10 
      1   0.215861D+02 -0.680795D+01  0.215514D+02  0.239495D+01 -0.542091D+01
      2  -0.159601D+02 -0.952057D+01 -0.186818D+02  0.380844D+01  0.138953D+02
      3  -0.562605D+01  0.163285D+02 -0.286961D+01 -0.620338D+01 -0.847436D+01
      4  -0.684904D+01  0.239610D+02 -0.952318D+01  0.265952D+01 -0.190342D+02
      5   0.553525D+01 -0.844227D+01  0.889636D+01 -0.668866D+01  0.130240D+02
      6   0.342557D+01  0.691668D+01  0.197349D+01  0.252784D+01 -0.119231D+02
                11            12            13            14            15 
      1  -0.433485D+01  0.701567D+01 -0.929082D+01 -0.943254D+01 -0.214332D+02
      2   0.323896D+01  0.821952D+00  0.459763D+01  0.135820D+02  0.997199D+01
      3   0.109589D+01 -0.783763D+01  0.469319D+01 -0.414941D+01  0.114612D+02
      4   0.432604D+01 -0.196207D+02  0.953303D+01 -0.247379D+02 -0.923101D+01
      5  -0.170706D+02 -0.700172D+01 -0.191620D+02 -0.179448D+02 -0.269124D+00
      6   0.993288D+01 -0.173269D+01 -0.276194D+01  0.115642D+01 -0.638001D+01
                16            17            18            19            20 
      1   0.314599D+01 -0.202507D+02 -0.754528D+01  0.534457D+02  0.956062D+01
      2   0.100949D+02  0.120810D+02 -0.166834D+01 -0.531470D+02 -0.133754D+02
      3  -0.132409D+02  0.816966D+01  0.921362D+01 -0.298704D+00  0.381475D+01
      4  -0.297977D+02 -0.279941D+01  0.339697D+00  0.177449D+01 -0.128317D+02
      5  -0.819609D+01  0.765880D-01  0.339402D+01  0.492777D+01  0.325171D+01
      6  -0.215652D+01 -0.368180D+01 -0.372323D+00  0.998917D+01 -0.219004D+01
                21            22            23            24            25 
      1   0.192862D+01  0.217452D+02  0.625664D+01  0.559761D+01  0.438648D+01
      2  -0.136855D+01 -0.209130D+02 -0.136109D+02  0.197418D+01 -0.814070D+01
      3  -0.560071D+00 -0.832172D+00  0.735422D+01 -0.757179D+01  0.375422D+01
      4   0.465440D+01 -0.383433D+02 -0.458816D+01 -0.245549D+01  0.127170D+02
      5   0.476183D+01  0.269638D+01  0.248059D+01  0.392411D+01  0.533527D+01
      6   0.219753D+01  0.817383D+01  0.543948D+01  0.171864D+01  0.279997D+01
                26            27            28            29            30 
      1   0.897262D+01  0.171877D+02 -0.128483D+03 -0.694888D+01  0.714681D+01
      2  -0.268028D+01  0.691087D+01  0.951789D+02  0.543139D+01 -0.351931D+01
      3  -0.629235D+01 -0.240985D+02  0.333040D+02  0.151749D+01 -0.362750D+01
      4  -0.700588D+01  0.720353D+01  0.375943D+01 -0.742847D+01  0.111470D+01
      5   0.481893D+01  0.620964D+01 -0.541286D+01  0.128815D+01 -0.111762D+02
      6   0.643349D+00  0.715123D-01 -0.150080D+02 -0.500080D+01  0.153612D+01
                31            32            33            34            35 
      1  -0.307688D+02 -0.235668D+02  0.706538D+01 -0.269993D+02  0.230315D+01
      2   0.256065D+02  0.227491D+02 -0.528279D+01  0.172120D+02 -0.318653D+01
      3   0.516235D+01  0.817643D+00 -0.178259D+01  0.978727D+01  0.883376D+00
      4  -0.405474D+01 -0.693536D+01  0.153080D+01 -0.182762D+01  0.156848D+01
      5   0.704293D-01 -0.312146D+00 -0.220070D+01 -0.201725D-01  0.141223D+01
      6  -0.441332D+01 -0.670448D+01  0.416479D+01 -0.139600D+01  0.207176D+00
                36            37            38            39            40 
      1  -0.322361D+01  0.147408D+03  0.106279D+02 -0.935315D+01  0.293918D+02
      2  -0.240990D+01 -0.106058D+03 -0.666378D+01  0.661069D+01 -0.148589D+02
      3   0.563351D+01 -0.413500D+02 -0.396413D+01  0.274246D+01 -0.145328D+02
      4   0.142961D+01 -0.321275D+01  0.144162D+02 -0.353539D+00  0.313633D+02
      5   0.297647D+01 -0.739621D+01 -0.180733D+01  0.201159D+02 -0.442661D+01
      6  -0.496504D+01  0.163827D+02  0.527648D+01 -0.273403D+01  0.112056D+02
                41            42            43            44            45 
      1   0.191691D+01  0.229740D+01  0.321236D+02  0.890114D+01  0.135698D+02
      2   0.338537D+01  0.341146D+01 -0.201458D+02 -0.319134D+01 -0.104798D+01
      3  -0.530228D+01 -0.570886D+01 -0.119779D+02 -0.570980D+01 -0.125219D+02
      4   0.687601D+01  0.381726D+01 -0.150157D+01  0.197612D+01 -0.648940D+01
      5   0.417420D+01 -0.482170D+01  0.259399D+02 -0.467128D+01 -0.964311D+01
      6   0.108915D+01  0.462424D+01 -0.210880D+01  0.281147D+01 -0.543605D+01
                46            47            48            49            50 
      1  -0.554393D+02 -0.546934D+01 -0.111476D+02  0.458129D+01 -0.275817D+01
      2   0.408693D+02 -0.182921D+01  0.250333D+01 -0.823396D+01  0.650045D+01
      3   0.145700D+02  0.729855D+01  0.864423D+01  0.365267D+01 -0.374228D+01
      4  -0.645288D+01 -0.160722D+02 -0.481316D+01  0.251043D+01  0.149726D+01
      5  -0.218071D+01 -0.202986D+01 -0.156021D+02 -0.231993D+02  0.516964D+01
      6  -0.107922D+02 -0.272183D+01 -0.235016D+00  0.210425D+01 -0.466179D+01
                51            52            53            54            55 
      1  -0.878456D+01  0.525361D+02 -0.394108D+01 -0.172881D+02  0.281625D+02
      2   0.969761D+01 -0.486655D+02 -0.133585D+01  0.217804D+02 -0.162637D+02
      3  -0.913050D+00 -0.387055D+01  0.527693D+01 -0.449228D+01 -0.118987D+02
      4   0.646014D+01 -0.239889D+02  0.777771D+01  0.101426D+02 -0.703525D+01
      5   0.826333D+01 -0.601291D+02  0.499872D+01  0.467925D+02 -0.192295D+02
      6   0.377300D+01  0.133100D+02 -0.586203D+01 -0.697018D+01  0.155778D+01
                56            57            58            59            60 
      1  -0.286205D+01 -0.103304D+02 -0.251456D+02 -0.801037D+00  0.341319D+01
      2   0.276397D+01  0.714762D+01  0.161903D+02  0.109372D+01 -0.346708D+01
      3   0.980878D-01  0.318275D+01  0.895535D+01 -0.292678D+00  0.538954D-01
      4   0.123364D+02  0.472473D+01  0.226757D+02 -0.139683D+02 -0.207162D+02
      5   0.383959D+01  0.203235D+02  0.174055D+02 -0.202417D+02 -0.116808D+02
      6  -0.122351D+01 -0.136077D+01 -0.109220D+02  0.761984D+01  0.134927D+02
                61            62            63            64            65 
      1  -0.792969D+02 -0.368296D+01  0.345944D+01 -0.329541D+02  0.202724D+02
      2   0.614200D+02  0.277695D+01 -0.327381D+02  0.751149D+01 -0.424418D+01
      3   0.178770D+02  0.906008D+00  0.292787D+02  0.254426D+02 -0.160283D+02
      4   0.130325D+02 -0.173456D+02 -0.144142D+02  0.242214D+02 -0.661307D+01
      5   0.692080D+02 -0.852781D+01 -0.781687D+02 -0.149659D+02  0.232152D+02
      6  -0.121771D+02  0.144594D+02  0.890599D+01  0.812856D+01 -0.105680D+02
                66            67            68            69            70 
      1  -0.109440D+02  0.147088D+02  0.440723D+01  0.341894D+02 -0.219206D+02
      2  -0.136417D+01  0.184834D+01 -0.252971D+00 -0.254449D+02  0.695614D+00
      3   0.123081D+02 -0.165572D+02 -0.415426D+01 -0.874444D+01  0.212249D+02
      4   0.280802D+02 -0.132413D+02  0.803088D+01  0.132076D+02  0.351404D+02
      5   0.630191D+01  0.234808D+02  0.186939D+02 -0.129065D+02  0.380672D+01
      6  -0.836355D+01 -0.558669D+01 -0.112167D+02 -0.916329D+01 -0.703316D+01
                71            72            73            74            75 
      1   0.356148D+02  0.262686D+01 -0.518417D+02 -0.157954D+02 -0.132060D+02
      2  -0.254413D+02  0.149085D+01  0.221780D+02  0.866370D+01 -0.334373D+01
      3  -0.101735D+02 -0.411771D+01  0.296637D+02  0.713170D+01  0.165497D+02
      4   0.858148D+01 -0.562882D+01 -0.218657D+02  0.167889D+01 -0.357772D+01
      5  -0.965622D+01  0.790305D+01 -0.164253D+02 -0.407274D+01  0.983613D+01
      6  -0.906949D+01 -0.713321D+00 -0.347187D+01 -0.342273D+01  0.572878D+01
                76            77            78            79            80 
      1  -0.139418D+02  0.110691D+02 -0.318938D+01 -0.312742D+01 -0.224073D+01
      2   0.107232D+02 -0.604823D+01  0.996907D+01 -0.551695D+01  0.750214D+01
      3   0.321859D+01 -0.502084D+01 -0.677969D+01  0.864436D+01 -0.526141D+01
      4   0.110567D+02  0.259306D+02  0.143768D+02  0.107385D+00  0.651415D+01
      5  -0.498005D+01  0.219763D+02 -0.439414D+01  0.125011D+02 -0.608501D+01
      6   0.454592D+01  0.943157D+01  0.155683D+01  0.488987D+01 -0.507493D+00
                81            82            83            84            85 
      1   0.219045D+02 -0.132133D+02 -0.108241D+02 -0.908153D+01 -0.124178D+02
      2  -0.134520D+01  0.200284D+02  0.260523D+02  0.141057D+02  0.240699D+02
      3  -0.205593D+02 -0.681510D+01 -0.152283D+02 -0.502422D+01 -0.116522D+02
      4  -0.289949D+01  0.100066D+02  0.986766D+01  0.115547D+02  0.227868D+02
      5  -0.117928D+02  0.298571D+01  0.122943D+02 -0.155162D+02  0.126922D+02
      6  -0.881537D+01  0.182528D+01  0.135329D+02 -0.129924D+02  0.546746D+01
                86            87            88            89            90 
      1   0.114385D+02  0.100157D+02 -0.298102D+02  0.985146D+01 -0.869014D+01
      2  -0.121430D+02 -0.874272D+01  0.326805D+02 -0.764709D+01  0.465231D+01
      3   0.704462D+00 -0.127302D+01 -0.287030D+01 -0.220437D+01  0.403783D+01
      4   0.884693D+01  0.601545D+01  0.235196D+02  0.139377D+02 -0.103968D+02
      5  -0.855937D+00 -0.103734D+01 -0.206364D+02 -0.589099D+01  0.614192D+01
      6  -0.646593D+01 -0.311950D+01 -0.177515D+02 -0.599967D+01  0.788198D+01
                91            92            93            94            95 
      1  -0.201567D+02  0.775676D+01  0.408264D+02  0.179283D+02  0.107500D+02
      2   0.874954D+01 -0.216743D+01 -0.193864D+02 -0.155931D+02 -0.992698D+01
      3   0.114071D+02 -0.558933D+01 -0.214399D+02 -0.233516D+01 -0.823063D+00
      4   0.135129D+02  0.125584D+02  0.117472D+02 -0.754803D+01 -0.302349D+02
      5   0.461321D+02  0.107907D+02 -0.322005D+01  0.129518D+02 -0.281291D+02
      6   0.650560D+01  0.438551D+01  0.260834D+01 -0.402740D+01 -0.102652D+02
                96            97            98            99           100 
      1   0.104433D+02  0.544633D+02  0.896019D+01 -0.223586D+02  0.869533D+02
      2  -0.164579D+02 -0.254180D+02 -0.121770D+02  0.161845D+02 -0.432181D+02
      3   0.601457D+01 -0.290453D+02  0.321681D+01  0.617408D+01 -0.437352D+02
      4  -0.299920D+02  0.118170D+02 -0.225477D+02  0.105555D+02  0.339014D+02
      5   0.176593D+02 -0.278547D+02  0.108720D+02 -0.304077D+02  0.269644D+02
      6  -0.946366D+01  0.359393D+01 -0.574048D+01  0.612431D+01  0.734588D+01
               101           102           103           104           105 
      1   0.146570D+02  0.139868D+02  0.631044D+01  0.754539D+01  0.980861D+00
      2  -0.448946D+01 -0.863058D+01 -0.282376D+00  0.223375D+00 -0.103210D+01
      3  -0.101676D+02 -0.535623D+01 -0.602807D+01 -0.776877D+01  0.512380D-01
      4   0.186631D+02  0.759388D+01  0.158584D+02  0.682127D+01  0.223866D+01
      5   0.647189D+01  0.148910D+02  0.307059D+01  0.174412D+01  0.183084D+01
      6   0.427566D+01  0.403587D+01  0.303476D+01  0.598336D+00  0.220989D+01
               106           107           108           109           110 
      1   0.290946D+01  0.911357D+00  0.563319D+01  0.122135D+01  0.467397D+01
      2  -0.320686D+01 -0.218328D+01 -0.559942D+01 -0.304626D+01 -0.279441D+01
      3   0.297396D+00  0.127192D+01 -0.337679D-01  0.182491D+01 -0.187957D+01
      4   0.222065D+01 -0.812678D+00  0.468418D+01  0.218963D+01 -0.189479D+01
      5   0.121066D+02  0.362310D+01  0.730082D+01  0.349576D+01  0.198197D+00
      6   0.316483D+01  0.188531D+01  0.311330D+01  0.301159D+01 -0.262405D+01
               111           112           113           114           115 
      1   0.105471D+02  0.183465D+01 -0.672832D+01 -0.326146D+01  0.742342D+01
      2   0.259645D+00 -0.131868D+01  0.227738D+01  0.131027D+01 -0.434819D+01
      3  -0.108068D+02 -0.515962D+00  0.445094D+01  0.195119D+01 -0.307523D+01
      4   0.127942D+01  0.130090D+01  0.830168D+00  0.308596D+01  0.341975D+01
      5  -0.348268D+01  0.132202D+01  0.192232D+01  0.371946D+01  0.585066D+01
      6  -0.473297D+01 -0.687503D+00  0.419136D+01  0.923134D+01  0.119395D+01
               116           117           118           119           120 
      1  -0.580535D+01 -0.237835D+02 -0.367512D+00  0.177391D-01 -0.235336D+01
      2   0.570454D+00 -0.123539D+02 -0.383596D+01 -0.251296D+00 -0.600883D+00
      3   0.523489D+01  0.361374D+02  0.420348D+01  0.233557D+00  0.295424D+01
      4   0.748314D+01  0.703742D+01 -0.113739D+01  0.258389D+01 -0.170551D-01
      5   0.797839D+01  0.332110D+02  0.343327D-01  0.980413D+00  0.642191D+01
      6   0.937073D+01  0.197135D+02  0.576792D+00  0.347405D+00 -0.296150D+00
               121           122           123           124           125 
      1   0.104795D+01 -0.637971D+01 -0.403126D+01 -0.188483D+01 -0.131624D+01
      2  -0.741757D+00  0.213236D+01 -0.202542D+01  0.121064D+01 -0.220914D+01
      3  -0.306192D+00  0.424735D+01  0.605667D+01  0.674193D+00  0.352538D+01
      4   0.159435D+01 -0.187298D+01 -0.162219D+01 -0.378177D+00 -0.237152D+01
      5   0.134050D+01 -0.193935D+01 -0.244986D+01  0.557296D+01 -0.178881D+01
      6   0.234708D+00  0.100190D+01  0.625563D+01 -0.746669D+00  0.519907D+01
               126           127           128           129           130 
      1  -0.258362D+02 -0.661087D+01  0.191210D+02  0.251946D+01  0.106329D+02
      2  -0.130895D+02  0.854578D+01 -0.268258D+02 -0.338471D+01 -0.133224D+02
      3   0.389257D+02 -0.193491D+01  0.770479D+01  0.865253D+00  0.268946D+01
      4  -0.354612D+01 -0.417569D+01  0.171724D+01 -0.527764D+00  0.552681D+01
      5  -0.118005D+02  0.487444D+00 -0.114202D+01  0.134699D+01 -0.995672D+00
      6  -0.112109D+01  0.147314D+01 -0.292106D+01 -0.220791D+01 -0.114515D+01
               131           132           133           134           135 
      1  -0.359882D+02 -0.357457D+01  0.496777D+01 -0.961318D+01 -0.543063D+01
      2   0.551012D+02  0.513569D+01 -0.488203D+01  0.132165D+02  0.652281D+01
      3  -0.191129D+02 -0.156112D+01 -0.857380D-01 -0.360337D+01 -0.109217D+01
      4   0.993683D+01 -0.359036D-01  0.381190D+00  0.243192D+01  0.255322D+01
      5   0.986689D+00  0.251545D+01  0.328465D+01  0.318902D+01  0.873677D+00
      6   0.483471D+01  0.765272D+01  0.689302D+00  0.102644D+02  0.361797D+01
               136           137           138           139           140 
      1   0.114078D+02  0.164150D+01 -0.241911D+01  0.349438D+01 -0.622791D+01
      2  -0.392559D+01  0.281473D+01 -0.674981D+00  0.180152D+00  0.118277D+02
      3  -0.748217D+01 -0.445623D+01  0.309409D+01 -0.367453D+01 -0.559975D+01
      4   0.179252D+02  0.150439D+02 -0.119292D+02  0.115519D+02  0.139848D+02
      5  -0.160413D+02 -0.100210D+02  0.162842D+02 -0.678511D+01 -0.971848D+01
      6  -0.102362D+02 -0.915731D+01  0.109887D+02 -0.742999D+01 -0.110084D+02
               141           142           143           144           145 
      1   0.253479D+01  0.157535D+01  0.685640D+01 -0.589859D+01 -0.710275D+01
      2  -0.467543D+01 -0.411617D+01 -0.892623D+01  0.370143D+00 -0.318861D+01
      3   0.214065D+01  0.254083D+01  0.206983D+01  0.552844D+01  0.102914D+02
      4  -0.102016D+02 -0.191133D+02 -0.172850D+02  0.162756D+02  0.634944D+01
      5   0.827123D+01  0.194725D+02  0.141980D+02 -0.237276D+02 -0.233300D+01
      6   0.102642D+02  0.156012D+02  0.171538D+02 -0.226441D+02 -0.357505D+01
               146           147           148           149           150 
      1  -0.363510D+01  0.110364D+02  0.870487D+00 -0.208023D+01 -0.576600D+01
      2   0.590843D+01  0.363390D+01  0.328121D+01 -0.250374D+00 -0.141962D+01
      3  -0.227333D+01 -0.146703D+02 -0.415170D+01  0.233061D+01  0.718562D+01
      4  -0.440012D+00 -0.623040D+01 -0.191801D+01  0.278192D+01  0.166621D+01
      5  -0.113167D+01  0.153654D+01 -0.838157D+00 -0.622721D+00  0.255899D+01
      6  -0.204382D+01  0.563530D+01 -0.131699D+01  0.233257D+01  0.909140D+00
               151           152           153           154           155 
      1   0.896898D+01 -0.896437D+00 -0.169464D+02  0.159576D+02 -0.216555D+01
      2   0.360435D+01 -0.189428D+01 -0.780203D+01 -0.775829D+01 -0.286348D+01
      3  -0.125733D+02  0.279072D+01  0.247484D+02 -0.819930D+01  0.502904D+01
      4  -0.773817D+01  0.270633D+01  0.482162D+01 -0.286711D+02  0.226823D+02
      5   0.356644D+01 -0.139688D+01  0.405217D+01  0.255440D+02 -0.150843D+02
      6   0.287387D+01  0.420160D+01 -0.932288D+01 -0.142182D+02  0.138834D+02
               156           157           158           159           160 
      1   0.266243D+01 -0.195299D+01 -0.324134D+01  0.127437D+01  0.427237D+01
      2  -0.364763D+01 -0.179573D+01  0.933867D+01 -0.182620D+01 -0.458578D+01
      3   0.985198D+00  0.374872D+01 -0.609733D+01  0.551836D+00  0.313411D+00
      4  -0.172341D+02  0.162864D+02 -0.174225D+02  0.110597D+02 -0.143887D+02
      5   0.210406D+02 -0.986197D+01  0.986876D+01 -0.843935D+01  0.176541D+02
      6  -0.137616D+02  0.979656D+01 -0.115047D+02  0.101146D+02 -0.108659D+02
               161           162           163           164           165 
      1   0.130959D+01 -0.232157D+01 -0.673118D+01 -0.119478D+02 -0.117656D+00
      2  -0.160282D+00 -0.483724D+01  0.863119D+01  0.176968D+02  0.358709D+01
      3  -0.114931D+01  0.715881D+01 -0.190000D+01 -0.574900D+01 -0.346944D+01
      4   0.112713D+02 -0.133221D+02  0.212370D+01  0.371461D+01 -0.104640D+01
      5  -0.116659D+02  0.189928D+02 -0.703880D+00 -0.432362D+01  0.316583D+00
      6   0.115179D+02 -0.149217D+02 -0.773954D+00  0.924456D-01  0.246108D+01
               166           167           168           169           170 
      1  -0.704798D+01 -0.247939D+02 -0.353873D+01 -0.280279D+01 -0.113264D+02
      2   0.105870D+02  0.409790D+02  0.766663D+01  0.463234D+01  0.173989D+02
      3  -0.353905D+01 -0.161851D+02 -0.412791D+01 -0.182955D+01 -0.607254D+01
      4   0.490152D+01 -0.851899D+01  0.569543D+00  0.429935D+00 -0.392565D+01
      5  -0.424206D+01 -0.489084D+01 -0.390599D+01  0.203634D+00 -0.388270D+01
      6   0.832063D+00 -0.196271D+01  0.621054D+01  0.105238D+01  0.511190D+01
               171           172           173           174           175 
      1  -0.457061D+01  0.179024D+02  0.473098D+01 -0.876875D+01  0.137731D+02
      2   0.607869D+01 -0.124702D+02 -0.526983D+01  0.968743D+01 -0.120968D+02
      3  -0.150808D+01 -0.543229D+01  0.538858D+00 -0.918684D+00 -0.167631D+01
      4  -0.978134D+00  0.280353D+01  0.665708D+01 -0.641130D+01  0.745596D+01
      5  -0.294831D+01 -0.137332D+02 -0.892032D+01  0.136409D+02 -0.165315D+02
      6   0.535263D+01 -0.189065D+01 -0.653565D+00  0.120656D+01 -0.106837D+01
               176           177           178           179           180 
      1   0.409778D+01 -0.938487D+01 -0.900854D+01 -0.637000D+01  0.566475D+01
      2  -0.630481D+01  0.135985D+02  0.125255D+02  0.101235D+02 -0.173664D+02
      3   0.220703D+01 -0.421368D+01 -0.351696D+01 -0.375351D+01  0.117017D+02
      4   0.161147D+02 -0.104107D+02 -0.679636D+01 -0.103517D+02  0.848309D+01
      5  -0.127259D+02  0.197084D+02  0.194719D+02  0.119651D+02 -0.297404D+02
      6  -0.522794D+01  0.414751D+01  0.910470D+00  0.575241D+01 -0.101332D+01
               181           182           183           184           185 
      1  -0.369502D+01 -0.131632D+02 -0.742720D+01 -0.934078D+01 -0.209442D+02
      2   0.325008D+01  0.940604D+01  0.304359D+01  0.395445D+01  0.213817D+02
      3   0.444939D+00  0.375718D+01  0.438361D+01  0.538633D+01 -0.437443D+00
      4  -0.142335D+01 -0.384238D+01 -0.475258D+01  0.721855D+01 -0.245848D+02
      5   0.214253D+01 -0.381350D+01 -0.406764D+01  0.237384D+01 -0.138888D+02
      6   0.219721D+01  0.773576D+01  0.688348D+01 -0.320056D+00  0.211839D+02
               186           187           188           189           190 
      1  -0.152736D+02 -0.306362D+01 -0.157570D+02 -0.140191D+02  0.728677D+02
      2   0.956727D+01  0.233930D+01  0.912173D+01  0.273881D+01 -0.284758D+02
      3   0.570633D+01  0.724310D+00  0.663530D+01  0.112802D+02 -0.443918D+02
      4  -0.140956D+02 -0.101730D+00 -0.131039D+02 -0.100742D+02 -0.405555D+02
      5  -0.112351D+02  0.416307D+01 -0.100323D+02 -0.154842D+02  0.214880D+01
      6   0.165634D+02  0.565435D+00  0.159327D+02  0.157636D+02 -0.136121D+01
               191           192           193           194           195 
      1  -0.211906D+02  0.102093D+02 -0.202275D+02  0.108197D+02 -0.531986D+01
      2   0.385781D+01 -0.201954D+01  0.221798D+01  0.103610D+01  0.146876D+01
      3   0.173327D+02 -0.818971D+01  0.180095D+02 -0.118558D+02  0.385111D+01
      4   0.226012D+02 -0.711224D+01  0.262571D+02 -0.196985D+02  0.261905D+01
      5  -0.257512D+01  0.107500D+02 -0.205828D+01 -0.237183D+00 -0.327520D+01
      6   0.276417D+00 -0.288282D+01 -0.223398D+00  0.114417D+01  0.390901D+01
               196           197           198           199           200 
      1   0.282489D+02 -0.101481D+02  0.905825D+01 -0.103840D+00 -0.889790D+00
      2  -0.877844D+01  0.196285D+01 -0.356127D+01  0.131035D+01  0.618713D+00
      3  -0.194704D+02  0.818523D+01 -0.549697D+01 -0.120651D+01  0.271077D+00
      4  -0.200183D+02  0.112659D+02 -0.624171D+01  0.363095D+00  0.125780D+01
      5   0.101349D+02 -0.368313D+01  0.919348D+01 -0.604969D+00  0.472628D+00
      6  -0.313041D+01  0.330596D+01 -0.374891D+01  0.112349D+01 -0.269529D-01
               201           202           203           204           205 
      1  -0.108178D+01 -0.265257D+01 -0.114377D+01 -0.443752D+01 -0.651901D+01
      2   0.862222D+00 -0.158497D+01  0.589389D+00  0.253316D+01  0.313387D+01
      3   0.219561D+00  0.423754D+01  0.554384D+00  0.190436D+01  0.338513D+01
      4   0.861203D+00  0.282242D+00 -0.125045D+01 -0.190193D+01  0.829518D+00
      5   0.147829D+01  0.333509D+00 -0.106881D+01 -0.611290D+00  0.846651D+00
      6   0.951520D-01 -0.901736D+00  0.338151D+01  0.340146D+01  0.115081D+01
               206           207           208           209           210 
      1  -0.587802D+01 -0.127170D+02  0.221337D+01  0.223651D+01  0.564072D+01
      2   0.397089D+01  0.208109D+01 -0.337015D+01 -0.125146D+01 -0.216623D+01
      3   0.190713D+01  0.106359D+02  0.115678D+01 -0.985045D+00 -0.347449D+01
      4  -0.126342D+01 -0.253140D+01  0.263106D+01  0.118567D+01  0.156549D+01
      5  -0.167841D+01 -0.446117D+01  0.530409D+01  0.172889D+01  0.456992D+01
      6   0.473264D+01  0.702680D+01  0.167433D+01 -0.210647D+00  0.445318D+00
               211           212           213           214           215 
      1   0.237756D+01 -0.429517D+01 -0.391547D+01  0.167538D+01 -0.436603D+01
      2  -0.402201D+01  0.522416D+00 -0.166617D+01 -0.375650D+01 -0.589574D+00
      3   0.164444D+01  0.377275D+01  0.558164D+01  0.208112D+01  0.495561D+01
      4  -0.247197D+01  0.133996D+01  0.237404D+01  0.324137D+01  0.357409D+01
      5   0.464967D+01  0.314257D+01  0.647801D+01  0.796117D+01  0.535051D+01
      6  -0.132467D+01  0.276924D+01  0.453539D+01  0.231742D+01  0.605509D+01
               216           217           218           219           220 
      1  -0.198109D+02  0.466909D+01  0.856844D+01 -0.131751D+00  0.213902D+02
      2  -0.842597D+01 -0.118224D+01 -0.568319D+01 -0.878423D-01 -0.595520D+01
      3   0.282369D+02 -0.348685D+01 -0.288524D+01  0.219594D+00 -0.154350D+02
      4   0.408333D+01  0.371167D+01  0.214049D+00 -0.145786D+01  0.234095D+02
      5   0.218881D+02 -0.235644D+01 -0.784735D+00  0.263359D+00  0.983586D+01
      6   0.603965D+01  0.223454D+01 -0.131808D+01 -0.152589D+01  0.553366D+01
               221           222           223           224           225 
      1  -0.815110D+01 -0.309329D+01  0.782119D+01 -0.341347D+01  0.198173D+01
      2   0.212555D+02  0.492112D+01 -0.452525D+01  0.294761D+01 -0.188455D+01
      3  -0.131044D+02 -0.182783D+01 -0.329594D+01  0.465860D+00 -0.971786D-01
      4   0.596086D+02  0.224851D+02  0.496042D+01  0.171946D+02  0.124448D+02
      5   0.211079D+02  0.151250D+02  0.150069D+02  0.126644D+02  0.187919D+02
      6   0.179354D+02  0.116295D+02  0.261170D+01  0.103684D+02  0.676555D+01
               226           227           228           229           230 
      1   0.183279D+02 -0.668446D+01  0.696876D+01 -0.196778D+02  0.244468D+01
      2  -0.127060D+02  0.416188D+01 -0.549493D+01  0.130249D+02 -0.230951D+01
      3  -0.562182D+01  0.252258D+01 -0.147383D+01  0.665288D+01 -0.135175D+00
      4  -0.754637D+01  0.423458D+01 -0.550580D+01  0.144908D+02 -0.145058D+02
      5   0.924749D+01 -0.623250D+01  0.118222D+02 -0.174866D+02  0.194596D+02
      6  -0.291346D+01  0.600785D+00 -0.945033D+00  0.511286D+01 -0.615167D+01
               231           232           233           234           235 
      1  -0.590390D+01  0.244849D+02  0.341318D+00  0.109878D+02  0.974429D+02
      2   0.998799D+01 -0.192414D+02  0.522470D+01 -0.225754D+02 -0.464120D+02
      3  -0.408408D+01 -0.524349D+01 -0.556602D+01  0.115876D+02 -0.510309D+02
      4   0.205667D+02 -0.497375D+01  0.187334D+02 -0.166790D+02  0.649729D+01
      5  -0.259962D+02  0.358724D+02 -0.153283D+02  0.564563D+02 -0.199987D+02
      6   0.919382D+01 -0.303587D+01  0.733621D+01 -0.714787D+01 -0.299212D+01
               236           237           238           239           240 
      1   0.206148D+01 -0.241111D+02 -0.472743D+01  0.922247D+01 -0.597315D+00
      2   0.168812D+00  0.105050D+02  0.354763D+01 -0.289275D+01  0.100036D+01
      3  -0.223029D+01  0.136061D+02  0.117981D+01 -0.632972D+01 -0.403045D+00
      4   0.124198D+02 -0.284343D+01  0.143402D+02  0.325679D+01 -0.196276D+01
      5  -0.188196D+01  0.167133D+02 -0.745797D+00 -0.153207D+01 -0.236601D+01
      6   0.174738D+00  0.154734D+01 -0.232419D+00  0.619732D+00  0.235515D+01
               241           242           243 
      1  -0.494946D+02 -0.267459D+01  0.204963D+02
      2   0.235666D+02  0.129970D+01 -0.113886D+02
      3   0.259280D+02  0.137489D+01 -0.910763D+01
      4  -0.515340D+01 -0.668060D+01  0.487546D+00
      5   0.236033D+02 -0.920731D-01 -0.167160D+02
      6   0.242366D+01  0.182360D+01 -0.255227D+01

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.124289D+01      0.315911D+01      0.105377D+02
   x          0.701090D+00      0.178199D+01      0.594408D+01
   y         -0.270005D+00     -0.686284D+00     -0.228920D+01
   z         -0.990123D+00     -0.251664D+01     -0.839461D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.124605D+03      0.184645D+02      0.205445D+02
   aniso      0.563378D+02      0.834841D+01      0.928885D+01
   xx         0.161281D+03      0.238994D+02      0.265917D+02
   yx         0.503065D+01      0.745465D+00      0.829442D+00
   yy         0.104214D+03      0.154429D+02      0.171826D+02
   zx         0.311106D+01      0.461011D+00      0.512944D+00
   zy         0.314748D+01      0.466409D+00      0.518950D+00
   zz         0.108319D+03      0.160512D+02      0.178593D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.132914D+03      0.196958D+02      0.219146D+02
   aniso      0.662603D+02      0.981876D+01      0.109248D+02
   xx         0.176284D+03      0.261226D+02      0.290653D+02
   yx         0.566344D+01      0.839235D+00      0.933775D+00
   yy         0.109246D+03      0.161885D+02      0.180122D+02
   zx         0.259876D+01      0.385097D+00      0.428478D+00
   zy         0.316030D+01      0.468309D+00      0.521064D+00
   zz         0.113212D+03      0.167764D+02      0.186662D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6          3.31057103          3.01161153          0.66057137
     6          3.15169930          0.55898889          2.14372613
     6          0.72104114         -1.14537824          1.74743911
     6         -0.68428646         -0.66406633         -0.61938830
     6         -3.12615275         -0.05670664         -0.78313223
     6         -4.36984297          0.40207931         -3.25359649
     8         -3.24387892          0.25109352         -5.25017365
     6          3.56167641          1.04759525          4.95289864
     6          4.78450642         -1.68090019          1.17765614
     6          2.51877902         -3.47451589          1.57415738
     6         -7.14405281          1.07839203         -3.15095843
     1          6.50932251         -2.08450686          2.23064673
     1          5.27022703         -1.47234985         -0.81429324
     1         -0.56889375         -1.13080403          3.35615870
     1          2.11116318         -4.81747347          0.06885585
     1          2.60760481         -4.49976335          3.35605105
     1          3.06113845          2.71024006         -1.36204028
     1          5.15563423          3.89572492          0.94486153
     1          1.86577704          4.35030898          1.28110987
     1          3.45799868         -0.69393072          6.05435274
     1          2.13541212          2.34845247          5.68609534
     1          5.41947208          1.88970801          5.27572033
     1          0.34910321         -0.81935343         -2.38810818
     1         -4.27243619          0.11992801          0.90831120
     1         -7.41615038          2.78555199         -2.01913147
     1         -8.20768111         -0.43132452         -2.22423329
     1         -7.87028210          1.37824008         -5.04921726

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.124289D+01      0.315911D+01      0.105377D+02
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.124289D+01      0.315911D+01      0.105377D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.124605D+03      0.184645D+02      0.205445D+02
   aniso      0.563378D+02      0.834841D+01      0.928885D+01
   xx         0.147859D+03      0.219104D+02      0.243786D+02
   yx        -0.800009D+01     -0.118549D+01     -0.131904D+01
   yy         0.103918D+03      0.153990D+02      0.171337D+02
   zx         0.223331D+02      0.330942D+01      0.368222D+01
   zy        -0.275125D+01     -0.407694D+00     -0.453620D+00
   zz         0.122037D+03      0.180841D+02      0.201213D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.132914D+03      0.196958D+02      0.219146D+02
   aniso      0.662603D+02      0.981876D+01      0.109248D+02
   xx         0.159195D+03      0.235903D+02      0.262478D+02
   yx        -0.916532D+01     -0.135816D+01     -0.151116D+01
   yy         0.109083D+03      0.161644D+02      0.179853D+02
   zx         0.271052D+02      0.401658D+01      0.446905D+01
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 FIREWORKS ENDED
 AND SPECTATORS GONE AWAY....
 AH, HOW VAST AND DARK
                     SHIKI
 Job cpu time:       0 days  4 hours 42 minutes  8.3 seconds.
 Elapsed time:       0 days  0 hours 35 minutes 20.3 seconds.
 File lengths (MBytes):  RWF=    397 Int=      0 D2E=      0 Chk=     15 Scr=      2
 Normal termination of Gaussian 16 at Thu Aug 12 21:16:05 2021.
